data_15877_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15877
_Entry.PDB_ID 2K6Q
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 9 . 1 1 1 A 2 2 MET H H 1 8.414 7.540 0.874 1
1 10 . 1 1 1 A 2 2 MET HA H 1 4.826 4.424 0.402 1
1 18 . 1 1 1 A 2 2 MET CA C 1 53.382 54.360 -0.978 1
1 19 . 1 1 1 A 2 2 MET CB C 1 32.478 32.604 -0.126 1
1 22 . 1 1 1 A 2 2 MET N N 1 122.882 123.253 -0.371 1
1 23 . 1 1 1 A 3 3 PRO HA H 2 4.425 4.650 -0.225 1
1 30 . 1 1 1 A 3 3 PRO C C 2 176.847 176.314 0.533 1
1 31 . 1 1 1 A 3 3 PRO CA C 2 63.386 62.895 0.491 1
1 32 . 1 1 1 A 3 3 PRO CB C 2 32.077 32.566 -0.489 1
1 35 . 1 1 1 A 4 4 SER H H 3 8.347 8.875 -0.528 1
1 36 . 1 1 1 A 4 4 SER HA H 3 4.391 4.604 -0.213 1
1 39 . 1 1 1 A 4 4 SER C C 3 174.643 174.290 0.353 1
1 40 . 1 1 1 A 4 4 SER CA C 3 58.336 59.596 -1.260 1
1 41 . 1 1 1 A 4 4 SER CB C 3 63.798 65.053 -1.255 1
1 42 . 1 1 1 A 4 4 SER N N 3 115.234 115.058 0.176 1
1 43 . 1 1 1 A 5 5 GLU H H 4 8.472 7.671 0.801 1
1 44 . 1 1 1 A 5 5 GLU HA H 4 4.297 4.425 -0.128 1
1 49 . 1 1 1 A 5 5 GLU C C 4 176.352 176.462 -0.110 1
1 50 . 1 1 1 A 5 5 GLU CA C 4 56.572 56.347 0.225 1
1 51 . 1 1 1 A 5 5 GLU CB C 4 30.285 30.509 -0.224 1
1 53 . 1 1 1 A 5 5 GLU N N 4 123.045 118.241 4.804 1
1 54 . 1 1 1 A 6 6 LYS H H 5 8.214 8.421 -0.207 1
1 55 . 1 1 1 A 6 6 LYS HA H 5 4.500 4.338 0.162 1
1 64 . 1 1 1 A 6 6 LYS C C 5 177.243 176.074 1.169 1
1 65 . 1 1 1 A 6 6 LYS CA C 5 55.943 56.712 -0.769 1
1 66 . 1 1 1 A 6 6 LYS CB C 5 34.621 33.141 1.480 1
1 70 . 1 1 1 A 6 6 LYS N N 5 121.467 122.526 -1.059 1
1 71 . 1 1 1 A 7 7 THR H H 6 8.431 8.169 0.262 1
1 72 . 1 1 1 A 7 7 THR HA H 6 4.383 4.852 -0.469 1
1 77 . 1 1 1 A 7 7 THR C C 6 175.360 175.600 -0.240 1
1 78 . 1 1 1 A 7 7 THR CA C 6 61.124 59.436 1.688 1
1 79 . 1 1 1 A 7 7 THR CB C 6 69.863 70.870 -1.007 1
1 81 . 1 1 1 A 7 7 THR N N 6 114.691 114.310 0.381 1
1 82 . 1 1 1 A 8 8 PHE H H 7 10.194 9.468 0.726 1
1 83 . 1 1 1 A 8 8 PHE HA H 7 3.904 4.222 -0.318 1
1 88 . 1 1 1 A 8 8 PHE C C 7 177.000 177.595 -0.595 1
1 89 . 1 1 1 A 8 8 PHE CA C 7 63.388 60.531 2.857 1
1 90 . 1 1 1 A 8 8 PHE CB C 7 39.586 38.789 0.797 1
1 92 . 1 1 1 A 8 8 PHE N N 7 124.861 128.058 -3.197 1
1 93 . 1 1 1 A 9 9 LYS H H 8 8.707 8.232 0.475 1
1 94 . 1 1 1 A 9 9 LYS HA H 8 3.761 3.924 -0.163 1
1 103 . 1 1 1 A 9 9 LYS C C 8 177.496 178.753 -1.257 1
1 104 . 1 1 1 A 9 9 LYS CA C 8 59.945 58.925 1.020 1
1 105 . 1 1 1 A 9 9 LYS CB C 8 33.870 31.760 2.110 1
1 109 . 1 1 1 A 9 9 LYS N N 8 114.189 117.168 -2.979 1
1 110 . 1 1 1 A 10 10 GLN H H 9 7.284 8.164 -0.880 1
1 111 . 1 1 1 A 10 10 GLN HA H 9 4.113 4.128 -0.015 1
1 118 . 1 1 1 A 10 10 GLN C C 9 177.416 178.127 -0.711 1
1 119 . 1 1 1 A 10 10 GLN CA C 9 56.743 58.116 -1.373 1
1 120 . 1 1 1 A 10 10 GLN CB C 9 30.002 29.052 0.950 1
1 123 . 1 1 1 A 10 10 GLN N N 9 112.843 119.323 -6.480 1
1 125 . 1 1 1 A 11 11 ARG H H 10 7.889 8.474 -0.585 1
1 126 . 1 1 1 A 11 11 ARG HA H 10 4.255 3.963 0.292 1
1 133 . 1 1 1 A 11 11 ARG C C 10 175.059 176.809 -1.750 1
1 134 . 1 1 1 A 11 11 ARG CA C 10 57.018 59.602 -2.584 1
1 135 . 1 1 1 A 11 11 ARG CB C 10 31.628 30.335 1.293 1
1 138 . 1 1 1 A 11 11 ARG N N 10 117.567 120.677 -3.110 1
1 139 . 1 1 1 A 12 12 ARG H H 11 7.443 7.853 -0.410 1
1 140 . 1 1 1 A 12 12 ARG HA H 11 4.493 4.245 0.248 1
1 147 . 1 1 1 A 12 12 ARG CA C 11 54.172 56.788 -2.616 1
1 148 . 1 1 1 A 12 12 ARG CB C 11 32.857 30.452 2.405 1
1 151 . 1 1 1 A 12 12 ARG N N 11 122.786 120.749 2.037 1
1 152 . 1 1 1 A 13 13 SER HA H 12 4.403 4.601 -0.198 1
1 155 . 1 1 1 A 13 13 SER C C 12 174.222 175.399 -1.177 1
1 156 . 1 1 1 A 13 13 SER CA C 12 58.274 58.695 -0.421 1
1 157 . 1 1 1 A 13 13 SER CB C 12 64.821 63.361 1.460 1
1 158 . 1 1 1 A 14 14 PHE H H 13 9.239 9.156 0.083 1
1 159 . 1 1 1 A 14 14 PHE HA H 13 4.035 4.088 -0.053 1
1 165 . 1 1 1 A 14 14 PHE C C 13 176.023 176.937 -0.914 1
1 166 . 1 1 1 A 14 14 PHE CA C 13 62.790 62.634 0.156 1
1 167 . 1 1 1 A 14 14 PHE CB C 13 39.580 39.651 -0.071 1
1 169 . 1 1 1 A 14 14 PHE N N 13 123.729 123.790 -0.061 1
1 170 . 1 1 1 A 15 15 GLU H H 14 9.093 8.536 0.557 1
1 171 . 1 1 1 A 15 15 GLU HA H 14 3.813 3.896 -0.083 1
1 176 . 1 1 1 A 15 15 GLU C C 14 179.549 179.454 0.095 1
1 177 . 1 1 1 A 15 15 GLU CA C 14 60.444 59.832 0.612 1
1 178 . 1 1 1 A 15 15 GLU CB C 14 28.804 29.336 -0.532 1
1 180 . 1 1 1 A 15 15 GLU N N 14 115.336 117.617 -2.281 1
1 181 . 1 1 1 A 16 16 GLN H H 15 7.752 7.989 -0.237 1
1 182 . 1 1 1 A 16 16 GLN HA H 15 4.044 4.138 -0.094 1
1 189 . 1 1 1 A 16 16 GLN C C 15 177.931 178.848 -0.917 1
1 190 . 1 1 1 A 16 16 GLN CA C 15 58.486 58.903 -0.417 1
1 191 . 1 1 1 A 16 16 GLN CB C 15 29.393 28.326 1.067 1
1 194 . 1 1 1 A 16 16 GLN N N 15 119.145 118.448 0.697 1
1 196 . 1 1 1 A 17 17 ARG H H 16 8.577 8.384 0.193 1
1 197 . 1 1 1 A 17 17 ARG HA H 16 4.280 4.276 0.004 1
1 202 . 1 1 1 A 17 17 ARG C C 16 177.128 178.755 -1.627 1
1 203 . 1 1 1 A 17 17 ARG CA C 16 61.442 58.920 2.522 1
1 204 . 1 1 1 A 17 17 ARG N N 16 121.288 120.929 0.359 1
1 205 . 1 1 1 A 18 18 VAL H H 17 8.329 7.917 0.412 1
1 206 . 1 1 1 A 18 18 VAL HA H 17 3.938 3.738 0.200 1
1 214 . 1 1 1 A 18 18 VAL C C 17 179.744 177.636 2.108 1
1 215 . 1 1 1 A 18 18 VAL CA C 17 65.441 65.573 -0.132 1
1 216 . 1 1 1 A 18 18 VAL CB C 17 32.080 31.774 0.306 1
1 219 . 1 1 1 A 18 18 VAL N N 17 116.752 119.951 -3.199 1
1 220 . 1 1 1 A 19 19 GLU H H 18 7.445 8.527 -1.082 1
1 221 . 1 1 1 A 19 19 GLU HA H 18 4.270 3.891 0.379 1
1 226 . 1 1 1 A 19 19 GLU C C 18 177.625 178.134 -0.509 1
1 227 . 1 1 1 A 19 19 GLU CA C 18 58.637 59.787 -1.150 1
1 228 . 1 1 1 A 19 19 GLU CB C 18 29.398 29.171 0.227 1
1 230 . 1 1 1 A 19 19 GLU N N 18 120.323 120.460 -0.137 1
1 231 . 1 1 1 A 20 20 ASP H H 19 8.690 8.102 0.588 1
1 232 . 1 1 1 A 20 20 ASP HA H 19 4.514 4.348 0.166 1
1 235 . 1 1 1 A 20 20 ASP C C 19 179.877 178.870 1.007 1
1 236 . 1 1 1 A 20 20 ASP CA C 19 57.224 57.420 -0.196 1
1 237 . 1 1 1 A 20 20 ASP CB C 19 41.487 41.774 -0.287 1
1 238 . 1 1 1 A 20 20 ASP N N 19 120.313 120.130 0.183 1
1 239 . 1 1 1 A 21 21 VAL H H 20 7.731 7.836 -0.105 1
1 240 . 1 1 1 A 21 21 VAL HA H 20 3.394 3.190 0.204 1
1 248 . 1 1 1 A 21 21 VAL C C 20 176.989 177.553 -0.564 1
1 249 . 1 1 1 A 21 21 VAL CA C 20 65.989 66.228 -0.239 1
1 250 . 1 1 1 A 21 21 VAL CB C 20 31.291 31.375 -0.084 1
1 253 . 1 1 1 A 21 21 VAL N N 20 119.119 119.337 -0.218 1
1 254 . 1 1 1 A 22 22 ARG H H 21 8.313 8.076 0.237 1
1 255 . 1 1 1 A 22 22 ARG HA H 21 3.825 3.988 -0.163 1
1 263 . 1 1 1 A 22 22 ARG C C 21 180.178 178.701 1.477 1
1 264 . 1 1 1 A 22 22 ARG CA C 21 59.821 59.345 0.476 1
1 265 . 1 1 1 A 22 22 ARG CB C 21 30.164 30.090 0.074 1
1 269 . 1 1 1 A 22 22 ARG N N 21 120.772 119.983 0.789 1
1 271 . 1 1 1 A 23 23 LEU H H 22 8.306 7.521 0.785 1
1 272 . 1 1 1 A 23 23 LEU HA H 22 4.076 3.975 0.101 1
1 282 . 1 1 1 A 23 23 LEU C C 22 180.221 179.155 1.066 1
1 283 . 1 1 1 A 23 23 LEU CA C 22 57.541 57.906 -0.365 1
1 284 . 1 1 1 A 23 23 LEU CB C 22 42.300 41.971 0.329 1
1 288 . 1 1 1 A 23 23 LEU N N 22 116.413 119.237 -2.824 1
1 289 . 1 1 1 A 24 24 ILE H H 23 7.864 8.202 -0.338 1
1 290 . 1 1 1 A 24 24 ILE HA H 23 4.090 3.771 0.319 1
1 300 . 1 1 1 A 24 24 ILE C C 23 177.922 178.384 -0.462 1
1 301 . 1 1 1 A 24 24 ILE CA C 23 60.190 64.194 -4.004 1
1 302 . 1 1 1 A 24 24 ILE CB C 23 38.072 37.248 0.824 1
1 306 . 1 1 1 A 24 24 ILE N N 23 121.259 118.531 2.728 1
1 307 . 1 1 1 A 25 25 ARG H H 24 8.339 8.370 -0.031 1
1 308 . 1 1 1 A 25 25 ARG HA H 24 3.973 4.027 -0.054 1
1 316 . 1 1 1 A 25 25 ARG C C 24 178.479 178.040 0.439 1
1 317 . 1 1 1 A 25 25 ARG CA C 24 57.337 59.354 -2.017 1
1 318 . 1 1 1 A 25 25 ARG CB C 24 28.663 30.038 -1.375 1
1 322 . 1 1 1 A 25 25 ARG N N 24 121.816 121.646 0.170 1
1 324 . 1 1 1 A 26 26 GLU H H 25 7.133 8.472 -1.339 1
1 325 . 1 1 1 A 26 26 GLU HA H 25 4.052 4.201 -0.149 1
1 330 . 1 1 1 A 26 26 GLU C C 25 178.158 176.527 1.631 1
1 331 . 1 1 1 A 26 26 GLU CA C 25 58.367 57.297 1.070 1
1 332 . 1 1 1 A 26 26 GLU CB C 25 29.903 30.010 -0.107 1
1 334 . 1 1 1 A 26 26 GLU N N 25 116.794 117.495 -0.701 1
1 335 . 1 1 1 A 27 27 GLN H H 26 7.283 7.952 -0.669 1
1 336 . 1 1 1 A 27 27 GLN HA H 26 3.888 4.392 -0.504 1
1 343 . 1 1 1 A 27 27 GLN C C 26 176.088 175.873 0.215 1
1 344 . 1 1 1 A 27 27 GLN CA C 26 57.676 57.146 0.530 1
1 345 . 1 1 1 A 27 27 GLN CB C 26 30.382 31.262 -0.880 1
1 348 . 1 1 1 A 27 27 GLN N N 26 116.373 117.645 -1.272 1
1 350 . 1 1 1 A 28 28 HIS H H 27 8.223 8.597 -0.374 1
1 351 . 1 1 1 A 28 28 HIS HA H 27 4.941 5.044 -0.103 1
1 356 . 1 1 1 A 28 28 HIS CA C 27 53.278 53.145 0.133 1
1 357 . 1 1 1 A 28 28 HIS CB C 27 30.933 29.828 1.105 1
1 360 . 1 1 1 A 28 28 HIS N N 27 115.408 116.299 -0.891 1
1 361 . 1 1 1 A 29 29 PRO HA H 28 4.562 4.355 0.207 1
1 368 . 1 1 1 A 29 29 PRO C C 28 178.046 177.542 0.504 1
1 369 . 1 1 1 A 29 29 PRO CA C 28 64.821 64.581 0.240 1
1 370 . 1 1 1 A 29 29 PRO CB C 28 32.447 32.032 0.415 1
1 373 . 1 1 1 A 30 30 THR H H 29 7.820 7.760 0.060 1
1 374 . 1 1 1 A 30 30 THR HA H 29 4.583 4.342 0.241 1
1 379 . 1 1 1 A 30 30 THR C C 29 172.723 173.304 -0.581 1
1 380 . 1 1 1 A 30 30 THR CA C 29 60.826 61.475 -0.649 1
1 381 . 1 1 1 A 30 30 THR CB C 29 68.641 68.973 -0.332 1
1 383 . 1 1 1 A 30 30 THR N N 29 106.682 107.812 -1.130 1
1 384 . 1 1 1 A 31 31 LYS H H 30 7.453 7.524 -0.071 1
1 385 . 1 1 1 A 31 31 LYS HA H 30 4.850 4.989 -0.139 1
1 394 . 1 1 1 A 31 31 LYS C C 30 174.296 174.703 -0.407 1
1 395 . 1 1 1 A 31 31 LYS CA C 30 53.944 54.675 -0.731 1
1 396 . 1 1 1 A 31 31 LYS CB C 30 36.098 36.721 -0.623 1
1 400 . 1 1 1 A 31 31 LYS N N 30 117.809 120.501 -2.692 1
1 401 . 1 1 1 A 32 32 ILE H H 31 9.265 9.383 -0.118 1
1 402 . 1 1 1 A 32 32 ILE HA H 31 4.106 4.237 -0.131 1
1 412 . 1 1 1 A 32 32 ILE CA C 31 54.606 57.459 -2.853 1
1 413 . 1 1 1 A 32 32 ILE CB C 31 38.448 38.409 0.039 1
1 417 . 1 1 1 A 32 32 ILE N N 31 122.497 123.029 -0.532 1
1 418 . 1 1 1 A 33 33 PRO HA H 32 5.252 4.865 0.387 1
1 425 . 1 1 1 A 33 33 PRO C C 32 174.652 176.667 -2.015 1
1 426 . 1 1 1 A 33 33 PRO CA C 32 61.704 62.486 -0.782 1
1 427 . 1 1 1 A 33 33 PRO CB C 32 31.873 31.908 -0.035 1
1 430 . 1 1 1 A 34 34 VAL H H 33 9.359 8.651 0.708 1
1 431 . 1 1 1 A 34 34 VAL HA H 33 5.298 5.039 0.259 1
1 439 . 1 1 1 A 34 34 VAL C C 33 173.633 174.792 -1.159 1
1 440 . 1 1 1 A 34 34 VAL CA C 33 59.830 59.588 0.242 1
1 441 . 1 1 1 A 34 34 VAL CB C 33 36.154 36.069 0.085 1
1 444 . 1 1 1 A 34 34 VAL N N 33 124.496 116.694 7.802 1
1 445 . 1 1 1 A 35 35 ILE H H 34 8.667 9.115 -0.448 1
1 446 . 1 1 1 A 35 35 ILE HA H 34 4.867 4.721 0.146 1
1 456 . 1 1 1 A 35 35 ILE C C 34 175.770 174.851 0.919 1
1 457 . 1 1 1 A 35 35 ILE CA C 34 56.320 60.273 -3.953 1
1 458 . 1 1 1 A 35 35 ILE CB C 34 36.909 39.355 -2.446 1
1 462 . 1 1 1 A 35 35 ILE N N 34 127.447 122.878 4.569 1
1 463 . 1 1 1 A 36 36 ILE H H 35 8.422 8.886 -0.464 1
1 464 . 1 1 1 A 36 36 ILE HA H 35 4.890 5.219 -0.329 1
1 474 . 1 1 1 A 36 36 ILE C C 35 175.098 176.046 -0.948 1
1 475 . 1 1 1 A 36 36 ILE CA C 35 60.806 60.307 0.499 1
1 476 . 1 1 1 A 36 36 ILE CB C 35 39.357 38.427 0.930 1
1 480 . 1 1 1 A 36 36 ILE N N 35 124.267 128.909 -4.642 1
1 481 . 1 1 1 A 37 37 GLU H H 36 8.335 8.569 -0.234 1
1 482 . 1 1 1 A 37 37 GLU HA H 36 4.820 4.900 -0.080 1
1 487 . 1 1 1 A 37 37 GLU C C 36 173.502 175.539 -2.037 1
1 488 . 1 1 1 A 37 37 GLU CA C 36 54.214 54.193 0.021 1
1 489 . 1 1 1 A 37 37 GLU CB C 36 35.547 33.477 2.070 1
1 491 . 1 1 1 A 37 37 GLU N N 36 123.296 125.542 -2.246 1
1 492 . 1 1 1 A 38 38 ARG H H 37 8.891 8.053 0.838 1
1 493 . 1 1 1 A 38 38 ARG HA H 37 2.755 3.180 -0.425 1
1 501 . 1 1 1 A 38 38 ARG C C 37 176.165 175.349 0.816 1
1 502 . 1 1 1 A 38 38 ARG CA C 37 56.235 55.829 0.406 1
1 503 . 1 1 1 A 38 38 ARG CB C 37 31.328 30.153 1.175 1
1 507 . 1 1 1 A 38 38 ARG N N 37 123.143 121.543 1.600 1
1 509 . 1 1 1 A 39 39 TYR H H 38 8.681 7.959 0.722 1
1 510 . 1 1 1 A 39 39 TYR HA H 38 4.331 4.364 -0.033 1
1 517 . 1 1 1 A 39 39 TYR C C 38 177.064 175.755 1.309 1
1 518 . 1 1 1 A 39 39 TYR CA C 38 57.769 58.895 -1.126 1
1 519 . 1 1 1 A 39 39 TYR CB C 38 39.552 38.838 0.714 1
1 522 . 1 1 1 A 39 39 TYR N N 38 128.699 122.772 5.927 1
1 523 . 1 1 1 A 40 40 LYS H H 39 8.454 8.140 0.314 1
1 524 . 1 1 1 A 40 40 LYS HA H 39 3.841 3.699 0.142 1
1 533 . 1 1 1 A 40 40 LYS C C 39 176.290 177.151 -0.861 1
1 534 . 1 1 1 A 40 40 LYS CA C 39 58.772 57.908 0.864 1
1 535 . 1 1 1 A 40 40 LYS CB C 39 31.738 31.607 0.131 1
1 539 . 1 1 1 A 40 40 LYS N N 39 130.022 125.670 4.352 1
1 540 . 1 1 1 A 41 41 GLY H H 40 5.457 8.710 -3.253 1
1 541 . 1 1 1 A 41 41 GLY HA2 H 40 3.306 4.027 -0.721 1
1 542 . 1 1 1 A 41 41 GLY HA3 H 40 3.999 4.124 -0.125 1
1 543 . 1 1 1 A 41 41 GLY C C 40 173.426 174.448 -1.022 1
1 544 . 1 1 1 A 41 41 GLY CA C 40 44.673 45.176 -0.503 1
1 545 . 1 1 1 A 41 41 GLY N N 40 104.628 112.894 -8.266 1
1 546 . 1 1 1 A 42 42 GLU H H 41 7.440 8.557 -1.117 1
1 547 . 1 1 1 A 42 42 GLU HA H 41 4.278 4.410 -0.132 1
1 552 . 1 1 1 A 42 42 GLU C C 41 176.306 176.566 -0.260 1
1 553 . 1 1 1 A 42 42 GLU CA C 41 56.358 56.058 0.300 1
1 554 . 1 1 1 A 42 42 GLU CB C 41 31.014 29.779 1.235 1
1 556 . 1 1 1 A 42 42 GLU N N 41 122.648 121.252 1.396 1
1 557 . 1 1 1 A 43 43 LYS H H 42 8.912 8.458 0.454 1
1 558 . 1 1 1 A 43 43 LYS HA H 42 4.680 4.705 -0.025 1
1 567 . 1 1 1 A 43 43 LYS C C 42 177.063 178.051 -0.988 1
1 568 . 1 1 1 A 43 43 LYS CA C 42 55.652 56.901 -1.249 1
1 569 . 1 1 1 A 43 43 LYS CB C 42 34.871 33.673 1.198 1
1 573 . 1 1 1 A 43 43 LYS N N 42 123.569 122.619 0.950 1
1 574 . 1 1 1 A 44 44 GLN H H 43 8.446 7.828 0.618 1
1 575 . 1 1 1 A 44 44 GLN HA H 43 4.545 4.219 0.326 1
1 582 . 1 1 1 A 44 44 GLN C C 43 177.152 176.801 0.351 1
1 583 . 1 1 1 A 44 44 GLN CA C 43 57.561 58.045 -0.484 1
1 584 . 1 1 1 A 44 44 GLN CB C 43 30.671 29.147 1.524 1
1 587 . 1 1 1 A 44 44 GLN N N 43 118.990 117.962 1.028 1
1 589 . 1 1 1 A 45 45 LEU H H 44 9.043 8.029 1.014 1
1 590 . 1 1 1 A 45 45 LEU HA H 44 4.716 4.502 0.214 1
1 600 . 1 1 1 A 45 45 LEU CA C 44 53.078 53.899 -0.821 1
1 601 . 1 1 1 A 45 45 LEU CB C 44 43.614 41.708 1.906 1
1 605 . 1 1 1 A 45 45 LEU N N 44 120.375 120.634 -0.259 1
1 606 . 1 1 1 A 46 46 PRO HA H 45 4.723 4.661 0.062 1
1 613 . 1 1 1 A 46 46 PRO C C 45 175.883 176.385 -0.502 1
1 614 . 1 1 1 A 46 46 PRO CA C 45 62.005 62.250 -0.245 1
1 615 . 1 1 1 A 46 46 PRO CB C 45 32.609 32.452 0.157 1
1 618 . 1 1 1 A 47 47 VAL H H 46 8.437 8.422 0.015 1
1 619 . 1 1 1 A 47 47 VAL HA H 46 3.914 4.612 -0.698 1
1 627 . 1 1 1 A 47 47 VAL C C 46 175.367 176.146 -0.779 1
1 628 . 1 1 1 A 47 47 VAL CA C 46 62.700 62.608 0.092 1
1 629 . 1 1 1 A 47 47 VAL CB C 46 32.927 32.457 0.470 1
1 632 . 1 1 1 A 47 47 VAL N N 46 118.440 121.517 -3.077 1
1 633 . 1 1 1 A 48 48 LEU H H 47 7.863 9.137 -1.274 1
1 634 . 1 1 1 A 48 48 LEU HA H 47 4.384 4.119 0.265 1
1 644 . 1 1 1 A 48 48 LEU C C 47 176.088 177.948 -1.860 1
1 645 . 1 1 1 A 48 48 LEU CA C 47 54.851 55.923 -1.072 1
1 646 . 1 1 1 A 48 48 LEU CB C 47 43.841 43.767 0.074 1
1 650 . 1 1 1 A 48 48 LEU N N 47 129.127 129.476 -0.349 1
1 651 . 1 1 1 A 49 49 ASP H H 48 8.699 8.775 -0.076 1
1 652 . 1 1 1 A 49 49 ASP HA H 48 4.293 4.471 -0.178 1
1 655 . 1 1 1 A 49 49 ASP C C 48 175.121 175.907 -0.786 1
1 656 . 1 1 1 A 49 49 ASP CA C 48 55.717 57.088 -1.371 1
1 657 . 1 1 1 A 49 49 ASP CB C 48 40.260 41.255 -0.995 1
1 658 . 1 1 1 A 49 49 ASP N N 48 121.389 125.387 -3.998 1
1 659 . 1 1 1 A 50 50 LYS H H 49 7.251 7.770 -0.519 1
1 660 . 1 1 1 A 50 50 LYS HA H 49 4.540 4.697 -0.157 1
1 669 . 1 1 1 A 50 50 LYS C C 49 174.664 176.087 -1.423 1
1 670 . 1 1 1 A 50 50 LYS CA C 49 53.211 54.382 -1.171 1
1 671 . 1 1 1 A 50 50 LYS CB C 49 35.514 36.045 -0.531 1
1 675 . 1 1 1 A 50 50 LYS N N 49 118.260 116.169 2.091 1
1 676 . 1 1 1 A 51 51 THR H H 50 8.162 8.282 -0.120 1
1 677 . 1 1 1 A 51 51 THR HA H 50 4.685 4.704 -0.019 1
1 682 . 1 1 1 A 51 51 THR C C 50 171.631 174.631 -3.000 1
1 683 . 1 1 1 A 51 51 THR CA C 50 63.581 63.512 0.069 1
1 684 . 1 1 1 A 51 51 THR CB C 50 71.587 69.993 1.594 1
1 686 . 1 1 1 A 51 51 THR N N 50 112.535 114.364 -1.829 1
1 687 . 1 1 1 A 52 52 LYS H H 51 6.971 7.589 -0.618 1
1 688 . 1 1 1 A 52 52 LYS HA H 51 4.443 4.934 -0.491 1
1 697 . 1 1 1 A 52 52 LYS C C 51 175.417 175.836 -0.419 1
1 698 . 1 1 1 A 52 52 LYS CA C 51 55.209 55.302 -0.093 1
1 699 . 1 1 1 A 52 52 LYS CB C 51 33.309 34.367 -1.058 1
1 703 . 1 1 1 A 52 52 LYS N N 51 120.227 118.142 2.085 1
1 704 . 1 1 1 A 53 53 PHE H H 52 9.688 8.875 0.813 1
1 705 . 1 1 1 A 53 53 PHE HA H 52 5.675 5.038 0.637 1
1 712 . 1 1 1 A 53 53 PHE C C 52 174.348 174.794 -0.446 1
1 713 . 1 1 1 A 53 53 PHE CA C 52 56.625 56.830 -0.205 1
1 714 . 1 1 1 A 53 53 PHE CB C 52 43.109 42.763 0.346 1
1 716 . 1 1 1 A 53 53 PHE N N 52 124.646 120.637 4.009 1
1 717 . 1 1 1 A 54 54 LEU H H 53 8.470 9.046 -0.576 1
1 718 . 1 1 1 A 54 54 LEU HA H 53 5.044 4.987 0.057 1
1 728 . 1 1 1 A 54 54 LEU C C 53 176.144 175.896 0.248 1
1 729 . 1 1 1 A 54 54 LEU CA C 53 52.954 53.568 -0.614 1
1 730 . 1 1 1 A 54 54 LEU CB C 53 45.081 42.081 3.000 1
1 734 . 1 1 1 A 54 54 LEU N N 53 119.430 124.384 -4.954 1
1 735 . 1 1 1 A 55 55 VAL H H 54 8.802 8.509 0.293 1
1 736 . 1 1 1 A 55 55 VAL HA H 54 4.640 4.577 0.063 1
1 744 . 1 1 1 A 55 55 VAL CA C 54 58.549 59.091 -0.542 1
1 745 . 1 1 1 A 55 55 VAL CB C 54 35.342 32.124 3.218 1
1 748 . 1 1 1 A 55 55 VAL N N 54 123.841 125.808 -1.967 1
1 749 . 1 1 1 A 56 56 PRO HA H 55 4.439 4.726 -0.287 1
1 756 . 1 1 1 A 56 56 PRO C C 55 176.666 176.417 0.249 1
1 757 . 1 1 1 A 56 56 PRO CA C 55 64.256 62.615 1.641 1
1 758 . 1 1 1 A 56 56 PRO CB C 55 32.783 32.312 0.471 1
1 761 . 1 1 1 A 57 57 ASP H H 56 8.412 7.903 0.509 1
1 762 . 1 1 1 A 57 57 ASP HA H 56 3.848 4.627 -0.779 1
1 765 . 1 1 1 A 57 57 ASP C C 56 175.417 176.651 -1.234 1
1 766 . 1 1 1 A 57 57 ASP CA C 56 56.616 53.797 2.819 1
1 767 . 1 1 1 A 57 57 ASP CB C 56 40.410 40.354 0.056 1
1 768 . 1 1 1 A 57 57 ASP N N 56 120.415 122.079 -1.664 1
1 769 . 1 1 1 A 58 58 HIS H H 57 7.373 7.977 -0.604 1
1 770 . 1 1 1 A 58 58 HIS HA H 57 4.770 4.844 -0.074 1
1 775 . 1 1 1 A 58 58 HIS C C 57 176.594 174.090 2.504 1
1 776 . 1 1 1 A 58 58 HIS CA C 57 55.584 55.152 0.432 1
1 777 . 1 1 1 A 58 58 HIS CB C 57 30.628 31.341 -0.713 1
1 780 . 1 1 1 A 58 58 HIS N N 57 113.439 114.457 -1.018 1
1 781 . 1 1 1 A 59 59 VAL H H 58 7.249 7.715 -0.466 1
1 782 . 1 1 1 A 59 59 VAL HA H 58 3.903 4.810 -0.907 1
1 790 . 1 1 1 A 59 59 VAL C C 58 175.014 173.799 1.215 1
1 791 . 1 1 1 A 59 59 VAL CA C 58 62.726 59.069 3.657 1
1 792 . 1 1 1 A 59 59 VAL CB C 58 32.190 36.425 -4.235 1
1 795 . 1 1 1 A 59 59 VAL N N 58 122.597 115.788 6.809 1
1 796 . 1 1 1 A 60 60 ASN H H 59 8.677 8.383 0.294 1
1 797 . 1 1 1 A 60 60 ASN HA H 59 5.187 5.149 0.038 1
1 802 . 1 1 1 A 60 60 ASN C C 59 176.477 177.117 -0.640 1
1 803 . 1 1 1 A 60 60 ASN CA C 59 51.181 51.359 -0.178 1
1 804 . 1 1 1 A 60 60 ASN CB C 59 39.947 41.041 -1.094 1
1 806 . 1 1 1 A 60 60 ASN N N 59 122.962 118.986 3.976 1
1 808 . 1 1 1 A 61 61 MET H H 60 8.038 8.645 -0.607 1
1 809 . 1 1 1 A 61 61 MET HA H 60 4.426 4.213 0.213 1
1 817 . 1 1 1 A 61 61 MET C C 60 177.996 178.429 -0.433 1
1 818 . 1 1 1 A 61 61 MET CA C 60 57.118 58.417 -1.299 1
1 819 . 1 1 1 A 61 61 MET CB C 60 29.998 32.049 -2.051 1
1 822 . 1 1 1 A 61 61 MET N N 60 116.814 120.507 -3.693 1
1 823 . 1 1 1 A 62 62 SER H H 61 8.401 8.221 0.180 1
1 824 . 1 1 1 A 62 62 SER HA H 61 4.132 4.108 0.024 1
1 827 . 1 1 1 A 62 62 SER C C 61 177.255 177.262 -0.007 1
1 828 . 1 1 1 A 62 62 SER CA C 61 61.559 61.500 0.059 1
1 829 . 1 1 1 A 62 62 SER CB C 61 62.430 63.145 -0.715 1
1 830 . 1 1 1 A 62 62 SER N N 61 114.109 115.445 -1.336 1
1 831 . 1 1 1 A 63 63 GLU H H 62 8.014 8.315 -0.301 1
1 832 . 1 1 1 A 63 63 GLU HA H 62 4.016 4.000 0.016 1
1 837 . 1 1 1 A 63 63 GLU C C 62 178.327 178.865 -0.538 1
1 838 . 1 1 1 A 63 63 GLU CA C 62 58.787 59.358 -0.571 1
1 839 . 1 1 1 A 63 63 GLU CB C 62 29.814 29.469 0.345 1
1 841 . 1 1 1 A 63 63 GLU N N 62 122.806 121.504 1.302 1
1 842 . 1 1 1 A 64 64 LEU H H 63 8.254 8.221 0.033 1
1 843 . 1 1 1 A 64 64 LEU HA H 63 3.932 3.983 -0.051 1
1 853 . 1 1 1 A 64 64 LEU C C 63 178.029 178.500 -0.471 1
1 854 . 1 1 1 A 64 64 LEU CA C 63 57.986 57.972 0.014 1
1 855 . 1 1 1 A 64 64 LEU CB C 63 41.377 41.906 -0.529 1
1 859 . 1 1 1 A 64 64 LEU N N 63 120.526 121.748 -1.222 1
1 860 . 1 1 1 A 65 65 ILE H H 64 8.415 8.538 -0.123 1
1 861 . 1 1 1 A 65 65 ILE HA H 64 3.377 3.774 -0.397 1
1 871 . 1 1 1 A 65 65 ILE C C 64 177.078 177.971 -0.893 1
1 872 . 1 1 1 A 65 65 ILE CA C 64 66.699 65.522 1.177 1
1 873 . 1 1 1 A 65 65 ILE CB C 64 38.128 37.740 0.388 1
1 877 . 1 1 1 A 65 65 ILE N N 64 118.349 119.764 -1.415 1
1 878 . 1 1 1 A 66 66 LYS H H 65 7.366 8.001 -0.635 1
1 879 . 1 1 1 A 66 66 LYS HA H 65 3.696 4.080 -0.384 1
1 888 . 1 1 1 A 66 66 LYS C C 65 179.260 179.221 0.039 1
1 889 . 1 1 1 A 66 66 LYS CA C 65 60.593 58.652 1.941 1
1 890 . 1 1 1 A 66 66 LYS CB C 65 32.421 32.185 0.236 1
1 894 . 1 1 1 A 66 66 LYS N N 65 118.334 119.289 -0.955 1
1 895 . 1 1 1 A 67 67 ILE H H 66 8.179 8.108 0.071 1
1 896 . 1 1 1 A 67 67 ILE HA H 66 3.546 3.738 -0.192 1
1 906 . 1 1 1 A 67 67 ILE C C 66 178.784 178.022 0.762 1
1 907 . 1 1 1 A 67 67 ILE CA C 66 65.488 64.909 0.579 1
1 908 . 1 1 1 A 67 67 ILE CB C 66 38.593 38.020 0.573 1
1 912 . 1 1 1 A 67 67 ILE N N 66 119.791 119.915 -0.124 1
1 913 . 1 1 1 A 68 68 ILE H H 67 8.279 8.514 -0.235 1
1 914 . 1 1 1 A 68 68 ILE HA H 67 3.391 3.354 0.037 1
1 924 . 1 1 1 A 68 68 ILE C C 67 177.403 177.439 -0.036 1
1 925 . 1 1 1 A 68 68 ILE CA C 67 63.144 65.359 -2.215 1
1 926 . 1 1 1 A 68 68 ILE CB C 67 35.269 37.723 -2.454 1
1 930 . 1 1 1 A 68 68 ILE N N 67 120.267 121.152 -0.885 1
1 931 . 1 1 1 A 69 69 ARG H H 68 8.454 8.313 0.141 1
1 932 . 1 1 1 A 69 69 ARG HA H 68 2.966 3.380 -0.414 1
1 939 . 1 1 1 A 69 69 ARG C C 68 178.385 178.959 -0.574 1
1 940 . 1 1 1 A 69 69 ARG CA C 68 60.642 59.840 0.802 1
1 941 . 1 1 1 A 69 69 ARG CB C 68 30.442 29.751 0.691 1
1 944 . 1 1 1 A 69 69 ARG N N 68 118.881 118.742 0.139 1
1 945 . 1 1 1 A 70 70 ARG H H 69 7.492 7.817 -0.325 1
1 946 . 1 1 1 A 70 70 ARG HA H 69 4.164 3.944 0.220 1
1 954 . 1 1 1 A 70 70 ARG C C 69 180.253 178.829 1.424 1
1 955 . 1 1 1 A 70 70 ARG CA C 69 58.510 60.088 -1.578 1
1 956 . 1 1 1 A 70 70 ARG CB C 69 29.587 30.005 -0.418 1
1 960 . 1 1 1 A 70 70 ARG N N 69 116.411 119.139 -2.728 1
1 962 . 1 1 1 A 71 71 ARG H H 70 8.086 7.942 0.144 1
1 963 . 1 1 1 A 71 71 ARG HA H 70 4.025 4.027 -0.002 1
1 970 . 1 1 1 A 71 71 ARG C C 70 178.558 178.520 0.038 1
1 971 . 1 1 1 A 71 71 ARG CA C 70 59.428 58.982 0.446 1
1 972 . 1 1 1 A 71 71 ARG CB C 70 30.235 30.149 0.086 1
1 975 . 1 1 1 A 71 71 ARG N N 70 122.779 119.335 3.444 1
1 976 . 1 1 1 A 72 72 LEU H H 71 7.755 7.770 -0.015 1
1 977 . 1 1 1 A 72 72 LEU HA H 71 4.081 4.093 -0.012 1
1 987 . 1 1 1 A 72 72 LEU C C 71 174.852 176.628 -1.776 1
1 988 . 1 1 1 A 72 72 LEU CA C 71 55.060 55.640 -0.580 1
1 989 . 1 1 1 A 72 72 LEU CB C 71 43.109 41.712 1.397 1
1 993 . 1 1 1 A 72 72 LEU N N 71 116.551 118.993 -2.442 1
1 994 . 1 1 1 A 73 73 GLN H H 72 7.740 8.188 -0.448 1
1 995 . 1 1 1 A 73 73 GLN HA H 72 3.853 3.943 -0.090 1
1 1002 . 1 1 1 A 73 73 GLN C C 72 175.619 174.801 0.818 1
1 1003 . 1 1 1 A 73 73 GLN CA C 72 56.273 56.508 -0.235 1
1 1004 . 1 1 1 A 73 73 GLN CB C 72 25.939 26.471 -0.532 1
1 1007 . 1 1 1 A 73 73 GLN N N 72 114.737 117.865 -3.128 1
1 1009 . 1 1 1 A 74 74 LEU H H 73 7.525 7.813 -0.288 1
1 1010 . 1 1 1 A 74 74 LEU HA H 73 4.242 4.430 -0.188 1
1 1020 . 1 1 1 A 74 74 LEU C C 73 178.611 176.855 1.756 1
1 1021 . 1 1 1 A 74 74 LEU CA C 73 54.382 54.363 0.019 1
1 1022 . 1 1 1 A 74 74 LEU CB C 73 41.995 42.562 -0.567 1
1 1026 . 1 1 1 A 74 74 LEU N N 73 114.861 120.336 -5.475 1
1 1027 . 1 1 1 A 75 75 ASN H H 74 8.970 8.811 0.159 1
1 1028 . 1 1 1 A 75 75 ASN HA H 74 4.694 4.924 -0.230 1
1 1033 . 1 1 1 A 75 75 ASN C C 74 176.527 176.668 -0.141 1
1 1034 . 1 1 1 A 75 75 ASN CA C 74 52.686 52.592 0.094 1
1 1035 . 1 1 1 A 75 75 ASN CB C 74 39.583 39.564 0.019 1
1 1037 . 1 1 1 A 75 75 ASN N N 74 121.274 119.569 1.705 1
1 1039 . 1 1 1 A 76 76 ALA H H 75 8.697 8.800 -0.103 1
1 1040 . 1 1 1 A 76 76 ALA HA H 75 3.966 4.127 -0.161 1
1 1044 . 1 1 1 A 76 76 ALA C C 75 178.002 178.324 -0.322 1
1 1045 . 1 1 1 A 76 76 ALA CA C 75 54.797 54.051 0.746 1
1 1046 . 1 1 1 A 76 76 ALA CB C 75 18.669 18.716 -0.047 1
1 1047 . 1 1 1 A 76 76 ALA N N 75 123.590 123.471 0.119 1
1 1048 . 1 1 1 A 77 77 ASN H H 76 8.344 7.892 0.452 1
1 1049 . 1 1 1 A 77 77 ASN HA H 76 4.585 4.706 -0.121 1
1 1054 . 1 1 1 A 77 77 ASN C C 76 175.371 176.059 -0.688 1
1 1055 . 1 1 1 A 77 77 ASN CA C 76 53.183 54.529 -1.346 1
1 1056 . 1 1 1 A 77 77 ASN CB C 76 38.277 39.362 -1.085 1
1 1058 . 1 1 1 A 77 77 ASN N N 76 112.004 115.516 -3.512 1
1 1060 . 1 1 1 A 78 78 GLN H H 77 7.532 8.012 -0.480 1
1 1061 . 1 1 1 A 78 78 GLN HA H 77 4.281 4.315 -0.034 1
1 1068 . 1 1 1 A 78 78 GLN C C 77 175.001 175.155 -0.154 1
1 1069 . 1 1 1 A 78 78 GLN CA C 77 55.875 56.492 -0.617 1
1 1070 . 1 1 1 A 78 78 GLN CB C 77 30.227 29.168 1.059 1
1 1073 . 1 1 1 A 78 78 GLN N N 77 120.237 118.250 1.987 1
1 1075 . 1 1 1 A 79 79 ALA H H 78 8.732 8.428 0.304 1
1 1076 . 1 1 1 A 79 79 ALA HA H 78 4.183 5.336 -1.153 1
1 1080 . 1 1 1 A 79 79 ALA C C 78 176.367 175.654 0.713 1
1 1081 . 1 1 1 A 79 79 ALA CA C 78 52.798 50.221 2.577 1
1 1082 . 1 1 1 A 79 79 ALA CB C 78 20.051 21.651 -1.600 1
1 1083 . 1 1 1 A 79 79 ALA N N 78 130.399 123.053 7.346 1
1 1084 . 1 1 1 A 80 80 PHE H H 79 7.603 8.637 -1.034 1
1 1085 . 1 1 1 A 80 80 PHE HA H 79 4.449 5.254 -0.805 1
1 1093 . 1 1 1 A 80 80 PHE C C 79 171.709 173.120 -1.411 1
1 1094 . 1 1 1 A 80 80 PHE CA C 79 59.101 56.801 2.300 1
1 1095 . 1 1 1 A 80 80 PHE CB C 79 42.282 42.573 -0.291 1
1 1099 . 1 1 1 A 80 80 PHE N N 79 118.988 123.801 -4.813 1
1 1100 . 1 1 1 A 81 81 PHE H H 80 8.507 9.073 -0.566 1
1 1101 . 1 1 1 A 81 81 PHE HA H 80 4.421 4.448 -0.027 1
1 1109 . 1 1 1 A 81 81 PHE C C 80 172.644 173.873 -1.229 1
1 1110 . 1 1 1 A 81 81 PHE CA C 80 56.711 55.833 0.878 1
1 1111 . 1 1 1 A 81 81 PHE CB C 80 41.880 41.909 -0.029 1
1 1115 . 1 1 1 A 81 81 PHE N N 80 126.042 124.967 1.075 1
1 1116 . 1 1 1 A 82 82 LEU H H 81 8.199 8.485 -0.286 1
1 1117 . 1 1 1 A 82 82 LEU HA H 81 4.883 4.823 0.060 1
1 1127 . 1 1 1 A 82 82 LEU C C 81 174.440 174.795 -0.355 1
1 1128 . 1 1 1 A 82 82 LEU CA C 81 53.153 54.240 -1.087 1
1 1129 . 1 1 1 A 82 82 LEU CB C 81 45.520 42.712 2.808 1
1 1133 . 1 1 1 A 82 82 LEU N N 81 121.512 126.392 -4.880 1
1 1134 . 1 1 1 A 83 83 LEU H H 82 9.349 9.617 -0.268 1
1 1135 . 1 1 1 A 83 83 LEU HA H 82 4.810 4.798 0.012 1
1 1145 . 1 1 1 A 83 83 LEU C C 82 177.075 175.799 1.276 1
1 1146 . 1 1 1 A 83 83 LEU CA C 82 54.122 53.618 0.504 1
1 1147 . 1 1 1 A 83 83 LEU CB C 82 43.394 42.108 1.286 1
1 1151 . 1 1 1 A 83 83 LEU N N 82 125.253 129.204 -3.951 1
1 1152 . 1 1 1 A 84 84 VAL H H 83 8.681 9.000 -0.319 1
1 1153 . 1 1 1 A 84 84 VAL HA H 83 4.411 4.230 0.181 1
1 1161 . 1 1 1 A 84 84 VAL C C 83 175.797 176.138 -0.341 1
1 1162 . 1 1 1 A 84 84 VAL CA C 83 61.630 61.560 0.070 1
1 1163 . 1 1 1 A 84 84 VAL CB C 83 33.647 31.331 2.316 1
1 1166 . 1 1 1 A 84 84 VAL N N 83 123.543 125.403 -1.860 1
1 1167 . 1 1 1 A 85 85 ASN H H 84 9.622 9.275 0.347 1
1 1168 . 1 1 1 A 85 85 ASN HA H 84 4.399 4.642 -0.243 1
1 1173 . 1 1 1 A 85 85 ASN C C 84 175.042 175.020 0.022 1
1 1174 . 1 1 1 A 85 85 ASN CA C 84 54.610 54.201 0.409 1
1 1175 . 1 1 1 A 85 85 ASN CB C 84 37.927 36.855 1.072 1
1 1177 . 1 1 1 A 85 85 ASN N N 84 125.848 127.295 -1.447 1
1 1179 . 1 1 1 A 86 86 GLY H H 85 8.551 8.314 0.237 1
1 1180 . 1 1 1 A 86 86 GLY HA2 H 85 3.368 3.921 -0.553 1
1 1181 . 1 1 1 A 86 86 GLY HA3 H 85 4.064 3.936 0.128 1
1 1182 . 1 1 1 A 86 86 GLY C C 85 173.524 173.605 -0.081 1
1 1183 . 1 1 1 A 86 86 GLY CA C 85 45.588 45.287 0.301 1
1 1184 . 1 1 1 A 86 86 GLY N N 85 101.093 105.001 -3.908 1
1 1185 . 1 1 1 A 87 87 HIS H H 86 7.906 7.447 0.459 1
1 1186 . 1 1 1 A 87 87 HIS HA H 86 5.003 5.194 -0.191 1
1 1191 . 1 1 1 A 87 87 HIS C C 86 173.910 174.298 -0.388 1
1 1192 . 1 1 1 A 87 87 HIS CA C 86 54.213 53.663 0.550 1
1 1193 . 1 1 1 A 87 87 HIS CB C 86 31.482 32.770 -1.288 1
1 1196 . 1 1 1 A 87 87 HIS N N 86 117.253 115.804 1.449 1
1 1197 . 1 1 1 A 88 88 SER H H 87 8.846 8.982 -0.136 1
1 1198 . 1 1 1 A 88 88 SER HA H 87 4.702 4.456 0.246 1
1 1201 . 1 1 1 A 88 88 SER C C 87 175.739 175.397 0.342 1
1 1202 . 1 1 1 A 88 88 SER CA C 87 58.245 58.160 0.085 1
1 1203 . 1 1 1 A 88 88 SER CB C 87 63.764 64.868 -1.104 1
1 1204 . 1 1 1 A 88 88 SER N N 87 117.469 115.495 1.974 1
1 1205 . 1 1 1 A 89 89 MET H H 88 9.174 8.450 0.724 1
1 1206 . 1 1 1 A 89 89 MET HA H 88 4.820 4.947 -0.127 1
1 1214 . 1 1 1 A 89 89 MET C C 88 176.294 177.057 -0.763 1
1 1215 . 1 1 1 A 89 89 MET CA C 88 54.853 54.092 0.761 1
1 1216 . 1 1 1 A 89 89 MET CB C 88 33.183 32.094 1.089 1
1 1219 . 1 1 1 A 89 89 MET N N 88 125.111 118.917 6.194 1
1 1220 . 1 1 1 A 90 90 VAL H H 89 8.217 8.099 0.118 1
1 1221 . 1 1 1 A 90 90 VAL HA H 89 4.063 3.829 0.234 1
1 1229 . 1 1 1 A 90 90 VAL C C 89 176.249 176.207 0.042 1
1 1230 . 1 1 1 A 90 90 VAL CA C 89 63.377 65.124 -1.747 1
1 1231 . 1 1 1 A 90 90 VAL CB C 89 32.473 31.370 1.103 1
1 1234 . 1 1 1 A 90 90 VAL N N 89 120.477 120.805 -0.328 1
1 1235 . 1 1 1 A 91 91 SER H H 90 8.356 7.984 0.372 1
1 1236 . 1 1 1 A 91 91 SER HA H 90 4.614 5.004 -0.390 1
1 1239 . 1 1 1 A 91 91 SER C C 90 175.841 172.467 3.374 1
1 1240 . 1 1 1 A 91 91 SER CA C 90 57.860 57.690 0.170 1
1 1241 . 1 1 1 A 91 91 SER CB C 90 63.398 64.176 -0.778 1
1 1242 . 1 1 1 A 91 91 SER N N 90 116.676 116.568 0.108 1
1 1243 . 1 1 1 A 92 92 VAL H H 91 8.158 8.944 -0.786 1
1 1244 . 1 1 1 A 92 92 VAL HA H 91 4.245 4.734 -0.489 1
1 1252 . 1 1 1 A 92 92 VAL C C 91 175.856 175.681 0.175 1
1 1253 . 1 1 1 A 92 92 VAL CA C 91 63.121 61.188 1.933 1
1 1254 . 1 1 1 A 92 92 VAL CB C 91 31.872 33.031 -1.159 1
1 1257 . 1 1 1 A 92 92 VAL N N 91 119.994 127.837 -7.843 1
1 1258 . 1 1 1 A 93 93 SER H H 92 8.368 8.863 -0.495 1
1 1259 . 1 1 1 A 93 93 SER HA H 92 4.581 4.824 -0.243 1
1 1262 . 1 1 1 A 93 93 SER C C 92 174.154 172.566 1.588 1
1 1263 . 1 1 1 A 93 93 SER CA C 92 57.706 57.961 -0.255 1
1 1264 . 1 1 1 A 93 93 SER CB C 92 63.126 64.258 -1.132 1
1 1265 . 1 1 1 A 93 93 SER N N 92 116.504 125.687 -9.183 1
1 1266 . 1 1 1 A 94 94 THR H H 93 7.427 7.591 -0.164 1
1 1267 . 1 1 1 A 94 94 THR HA H 93 4.464 4.633 -0.169 1
1 1272 . 1 1 1 A 94 94 THR CA C 93 61.032 59.144 1.888 1
1 1273 . 1 1 1 A 94 94 THR CB C 93 70.505 71.554 -1.049 1
1 1275 . 1 1 1 A 94 94 THR N N 93 119.172 116.746 2.426 1
1 1276 . 1 1 1 A 95 95 PRO HA H 94 4.426 4.725 -0.299 1
1 1283 . 1 1 1 A 95 95 PRO C C 94 178.692 178.010 0.682 1
1 1284 . 1 1 1 A 95 95 PRO CA C 94 62.921 62.682 0.239 1
1 1285 . 1 1 1 A 95 95 PRO CB C 94 32.774 32.608 0.166 1
1 1288 . 1 1 1 A 96 96 ILE H H 95 9.324 9.036 0.288 1
1 1289 . 1 1 1 A 96 96 ILE HA H 95 3.956 4.012 -0.056 1
1 1299 . 1 1 1 A 96 96 ILE C C 95 176.415 176.968 -0.553 1
1 1300 . 1 1 1 A 96 96 ILE CA C 95 63.880 63.514 0.366 1
1 1301 . 1 1 1 A 96 96 ILE CB C 95 38.055 38.073 -0.018 1
1 1305 . 1 1 1 A 96 96 ILE N N 95 123.862 125.452 -1.590 1
1 1306 . 1 1 1 A 97 97 SER H H 96 8.211 8.410 -0.199 1
1 1307 . 1 1 1 A 97 97 SER HA H 96 3.978 4.119 -0.141 1
1 1310 . 1 1 1 A 97 97 SER C C 96 176.494 177.318 -0.824 1
1 1311 . 1 1 1 A 97 97 SER CA C 96 61.576 61.403 0.173 1
1 1312 . 1 1 1 A 97 97 SER CB C 96 61.262 62.383 -1.121 1
1 1313 . 1 1 1 A 97 97 SER N N 96 116.529 117.449 -0.920 1
1 1314 . 1 1 1 A 98 98 GLU H H 97 7.329 7.842 -0.513 1
1 1315 . 1 1 1 A 98 98 GLU HA H 97 4.290 4.248 0.042 1
1 1320 . 1 1 1 A 98 98 GLU C C 97 179.288 179.016 0.272 1
1 1321 . 1 1 1 A 98 98 GLU CA C 97 58.705 59.273 -0.568 1
1 1322 . 1 1 1 A 98 98 GLU CB C 97 29.791 30.302 -0.511 1
1 1324 . 1 1 1 A 98 98 GLU N N 97 122.955 122.927 0.028 1
1 1325 . 1 1 1 A 99 99 VAL H H 98 7.386 8.560 -1.174 1
1 1326 . 1 1 1 A 99 99 VAL HA H 98 3.815 3.833 -0.018 1
1 1334 . 1 1 1 A 99 99 VAL C C 98 177.662 178.422 -0.760 1
1 1335 . 1 1 1 A 99 99 VAL CA C 98 65.774 65.904 -0.130 1
1 1336 . 1 1 1 A 99 99 VAL CB C 98 32.047 31.763 0.284 1
1 1339 . 1 1 1 A 99 99 VAL N N 98 120.888 120.892 -0.004 1
1 1340 . 1 1 1 A 100 100 TYR H H 99 8.984 7.863 1.121 1
1 1341 . 1 1 1 A 100 100 TYR HA H 99 4.013 4.207 -0.194 1
1 1348 . 1 1 1 A 100 100 TYR C C 99 176.355 178.284 -1.929 1
1 1349 . 1 1 1 A 100 100 TYR CA C 99 62.118 61.550 0.568 1
1 1350 . 1 1 1 A 100 100 TYR CB C 99 38.921 38.885 0.036 1
1 1353 . 1 1 1 A 100 100 TYR N N 99 118.874 121.173 -2.299 1
1 1354 . 1 1 1 A 101 101 GLU H H 100 7.433 8.538 -1.105 1
1 1355 . 1 1 1 A 101 101 GLU HA H 100 3.833 4.007 -0.174 1
1 1360 . 1 1 1 A 101 101 GLU C C 100 177.674 176.883 0.791 1
1 1361 . 1 1 1 A 101 101 GLU CA C 100 58.895 57.998 0.897 1
1 1362 . 1 1 1 A 101 101 GLU CB C 100 29.577 28.484 1.093 1
1 1364 . 1 1 1 A 101 101 GLU N N 100 114.383 118.184 -3.801 1
1 1365 . 1 1 1 A 102 102 SER H H 101 7.423 8.350 -0.927 1
1 1366 . 1 1 1 A 102 102 SER HA H 101 4.552 4.561 -0.009 1
1 1369 . 1 1 1 A 102 102 SER C C 101 176.554 174.772 1.782 1
1 1370 . 1 1 1 A 102 102 SER CA C 101 60.200 58.906 1.294 1
1 1371 . 1 1 1 A 102 102 SER CB C 101 64.828 63.937 0.891 1
1 1372 . 1 1 1 A 102 102 SER N N 101 108.722 114.942 -6.220 1
1 1373 . 1 1 1 A 103 103 GLU H H 102 8.488 8.083 0.405 1
1 1374 . 1 1 1 A 103 103 GLU HA H 102 4.752 4.524 0.228 1
1 1379 . 1 1 1 A 103 103 GLU C C 102 176.653 176.362 0.291 1
1 1380 . 1 1 1 A 103 103 GLU CA C 102 55.464 57.460 -1.996 1
1 1381 . 1 1 1 A 103 103 GLU CB C 102 30.611 32.016 -1.405 1
1 1383 . 1 1 1 A 103 103 GLU N N 102 116.116 118.395 -2.279 1
1 1384 . 1 1 1 A 104 104 ARG H H 103 7.511 7.733 -0.222 1
1 1385 . 1 1 1 A 104 104 ARG HA H 103 4.241 4.286 -0.045 1
1 1392 . 1 1 1 A 104 104 ARG C C 103 174.634 174.832 -0.198 1
1 1393 . 1 1 1 A 104 104 ARG CA C 103 56.926 56.206 0.720 1
1 1394 . 1 1 1 A 104 104 ARG CB C 103 29.713 30.096 -0.383 1
1 1397 . 1 1 1 A 104 104 ARG N N 103 117.180 118.741 -1.561 1
1 1398 . 1 1 1 A 105 105 ASP H H 104 9.069 8.372 0.697 1
1 1399 . 1 1 1 A 105 105 ASP HA H 104 4.774 4.999 -0.225 1
1 1402 . 1 1 1 A 105 105 ASP C C 104 177.460 176.727 0.733 1
1 1403 . 1 1 1 A 105 105 ASP CA C 104 53.852 52.481 1.371 1
1 1404 . 1 1 1 A 105 105 ASP CB C 104 43.424 43.762 -0.338 1
1 1405 . 1 1 1 A 105 105 ASP N N 104 123.349 123.039 0.310 1
1 1406 . 1 1 1 A 106 106 GLU H H 105 8.982 8.902 0.080 1
1 1407 . 1 1 1 A 106 106 GLU HA H 105 4.199 3.986 0.213 1
1 1412 . 1 1 1 A 106 106 GLU C C 105 177.398 178.074 -0.676 1
1 1413 . 1 1 1 A 106 106 GLU CA C 105 59.413 59.340 0.073 1
1 1414 . 1 1 1 A 106 106 GLU CB C 105 29.983 29.278 0.705 1
1 1416 . 1 1 1 A 106 106 GLU N N 105 125.197 123.332 1.865 1
1 1417 . 1 1 1 A 107 107 ASP H H 106 9.873 8.033 1.840 1
1 1418 . 1 1 1 A 107 107 ASP HA H 106 4.211 4.105 0.106 1
1 1421 . 1 1 1 A 107 107 ASP C C 106 175.775 176.822 -1.047 1
1 1422 . 1 1 1 A 107 107 ASP CA C 106 54.698 55.064 -0.366 1
1 1423 . 1 1 1 A 107 107 ASP CB C 106 40.187 41.581 -1.394 1
1 1424 . 1 1 1 A 107 107 ASP N N 106 118.717 116.839 1.878 1
1 1425 . 1 1 1 A 108 108 GLY H H 107 7.971 8.697 -0.726 1
1 1426 . 1 1 1 A 108 108 GLY HA2 H 107 3.431 3.932 -0.501 1
1 1427 . 1 1 1 A 108 108 GLY HA3 H 107 4.526 3.948 0.578 1
1 1428 . 1 1 1 A 108 108 GLY C C 107 175.138 173.914 1.224 1
1 1429 . 1 1 1 A 108 108 GLY CA C 107 45.029 45.789 -0.760 1
1 1430 . 1 1 1 A 108 108 GLY N N 107 105.017 109.382 -4.365 1
1 1431 . 1 1 1 A 109 109 PHE H H 108 9.799 7.357 2.442 1
1 1432 . 1 1 1 A 109 109 PHE HA H 108 4.607 4.869 -0.262 1
1 1440 . 1 1 1 A 109 109 PHE C C 108 175.171 174.381 0.790 1
1 1441 . 1 1 1 A 109 109 PHE CA C 108 60.222 56.460 3.762 1
1 1442 . 1 1 1 A 109 109 PHE CB C 108 40.433 42.682 -2.249 1
1 1446 . 1 1 1 A 109 109 PHE N N 108 123.309 118.783 4.526 1
1 1447 . 1 1 1 A 110 110 LEU H H 109 8.061 8.786 -0.725 1
1 1448 . 1 1 1 A 110 110 LEU HA H 109 5.022 4.291 0.731 1
1 1458 . 1 1 1 A 110 110 LEU C C 109 174.033 175.442 -1.409 1
1 1459 . 1 1 1 A 110 110 LEU CA C 109 53.539 54.669 -1.130 1
1 1460 . 1 1 1 A 110 110 LEU CB C 109 45.284 42.678 2.606 1
1 1464 . 1 1 1 A 110 110 LEU N N 109 119.999 126.363 -6.364 1
1 1465 . 1 1 1 A 111 111 TYR H H 110 9.363 9.087 0.276 1
1 1466 . 1 1 1 A 111 111 TYR HA H 110 4.906 5.209 -0.303 1
1 1473 . 1 1 1 A 111 111 TYR C C 110 176.538 174.591 1.947 1
1 1474 . 1 1 1 A 111 111 TYR CA C 110 59.335 56.622 2.713 1
1 1475 . 1 1 1 A 111 111 TYR CB C 110 39.485 40.467 -0.982 1
1 1478 . 1 1 1 A 111 111 TYR N N 110 126.322 120.749 5.573 1
1 1479 . 1 1 1 A 112 112 MET H H 111 9.496 9.055 0.441 1
1 1480 . 1 1 1 A 112 112 MET HA H 111 5.522 5.476 0.046 1
1 1488 . 1 1 1 A 112 112 MET C C 111 175.676 174.365 1.311 1
1 1489 . 1 1 1 A 112 112 MET CA C 111 54.216 54.257 -0.041 1
1 1490 . 1 1 1 A 112 112 MET CB C 111 36.821 36.781 0.040 1
1 1493 . 1 1 1 A 112 112 MET N N 111 119.003 123.812 -4.809 1
1 1494 . 1 1 1 A 113 113 VAL H H 112 8.749 8.879 -0.130 1
1 1495 . 1 1 1 A 113 113 VAL HA H 112 5.967 5.050 0.917 1
1 1503 . 1 1 1 A 113 113 VAL C C 112 174.893 175.203 -0.310 1
1 1504 . 1 1 1 A 113 113 VAL CA C 112 58.896 61.104 -2.208 1
1 1505 . 1 1 1 A 113 113 VAL CB C 112 36.149 33.322 2.827 1
1 1508 . 1 1 1 A 113 113 VAL N N 112 119.658 122.464 -2.806 1
1 1509 . 1 1 1 A 114 114 TYR H H 113 8.210 8.733 -0.523 1
1 1510 . 1 1 1 A 114 114 TYR HA H 113 6.141 5.917 0.224 1
1 1517 . 1 1 1 A 114 114 TYR C C 113 173.353 174.179 -0.826 1
1 1518 . 1 1 1 A 114 114 TYR CA C 113 54.161 55.186 -1.025 1
1 1519 . 1 1 1 A 114 114 TYR CB C 113 43.538 42.305 1.233 1
1 1522 . 1 1 1 A 114 114 TYR N N 113 118.947 124.787 -5.840 1
1 1523 . 1 1 1 A 115 115 ALA H H 114 8.483 8.719 -0.236 1
1 1524 . 1 1 1 A 115 115 ALA HA H 114 4.762 4.811 -0.049 1
1 1528 . 1 1 1 A 115 115 ALA C C 114 176.033 176.879 -0.846 1
1 1529 . 1 1 1 A 115 115 ALA CA C 114 51.223 51.347 -0.124 1
1 1530 . 1 1 1 A 115 115 ALA CB C 114 24.521 22.855 1.666 1
1 1531 . 1 1 1 A 115 115 ALA N N 114 119.557 121.677 -2.120 1
1 1532 . 1 1 1 A 116 116 SER H H 115 9.835 8.338 1.497 1
1 1533 . 1 1 1 A 116 116 SER HA H 115 4.497 5.022 -0.525 1
1 1536 . 1 1 1 A 116 116 SER C C 115 172.664 173.734 -1.070 1
1 1537 . 1 1 1 A 116 116 SER CA C 115 58.669 58.027 0.642 1
1 1538 . 1 1 1 A 116 116 SER CB C 115 63.570 63.476 0.094 1
1 1539 . 1 1 1 A 116 116 SER N N 115 114.435 114.353 0.082 1
1 1540 . 1 1 1 A 117 117 GLN H H 116 7.180 7.629 -0.449 1
1 1541 . 1 1 1 A 117 117 GLN HA H 116 4.460 4.882 -0.422 1
1 1548 . 1 1 1 A 117 117 GLN C C 116 172.901 175.534 -2.633 1
1 1549 . 1 1 1 A 117 117 GLN CA C 116 53.974 54.887 -0.913 1
1 1550 . 1 1 1 A 117 117 GLN CB C 116 32.192 31.686 0.506 1
1 1553 . 1 1 1 A 117 117 GLN N N 116 116.449 120.686 -4.237 1
1 1555 . 1 1 1 A 118 118 GLU H H 117 7.878 8.875 -0.997 1
1 1556 . 1 1 1 A 118 118 GLU HA H 117 3.259 4.495 -1.236 1
1 1561 . 1 1 1 A 118 118 GLU C C 117 175.233 176.918 -1.685 1
1 1562 . 1 1 1 A 118 118 GLU CA C 117 56.890 56.707 0.183 1
1 1563 . 1 1 1 A 118 118 GLU CB C 117 30.325 30.236 0.089 1
1 1565 . 1 1 1 A 118 118 GLU N N 117 117.687 125.953 -8.266 1
1 1566 . 1 1 1 A 119 119 THR H H 118 6.968 7.658 -0.690 1
1 1567 . 1 1 1 A 119 119 THR HA H 118 4.082 4.547 -0.465 1
1 1572 . 1 1 1 A 119 119 THR C C 118 173.134 174.791 -1.657 1
1 1573 . 1 1 1 A 119 119 THR CA C 118 60.123 59.840 0.283 1
1 1574 . 1 1 1 A 119 119 THR CB C 118 70.147 68.453 1.694 1
1 1576 . 1 1 1 A 119 119 THR N N 118 109.548 107.930 1.618 1
1 1577 . 1 1 1 A 120 120 PHE H H 119 8.138 7.838 0.300 1
1 1578 . 1 1 1 A 120 120 PHE HA H 119 4.436 4.337 0.099 1
1 1586 . 1 1 1 A 120 120 PHE C C 119 174.902 177.282 -2.380 1
1 1587 . 1 1 1 A 120 120 PHE CA C 119 56.750 58.549 -1.799 1
1 1588 . 1 1 1 A 120 120 PHE CB C 119 39.411 38.461 0.950 1
1 1592 . 1 1 1 A 120 120 PHE N N 119 121.777 121.059 0.718 1
1 1607 . 1 2 2 B 2 2 SER H H 332 8.471 8.899 -0.428 1
1 1608 . 1 2 2 B 2 2 SER HA H 332 4.484 4.826 -0.342 1
1 1611 . 1 2 2 B 2 2 SER C C 332 174.962 175.465 -0.503 1
1 1612 . 1 2 2 B 2 2 SER CA C 332 88.436 57.107 31.329 1
1 1613 . 1 2 2 B 2 2 SER CB C 332 93.927 64.050 29.877 1
1 1614 . 1 2 2 B 2 2 SER N N 332 147.261 118.857 28.404 1
1 1615 . 1 2 2 B 3 3 GLY H H 333 8.601 8.225 0.376 1
1 1616 . 1 2 2 B 3 3 GLY HA2 H 333 4.022 3.895 0.127 1
1 1617 . 1 2 2 B 3 3 GLY HA3 H 333 4.022 3.899 0.123 1
1 1618 . 1 2 2 B 3 3 GLY C C 333 174.774 174.173 0.601 1
1 1619 . 1 2 2 B 3 3 GLY CA C 333 75.465 45.472 29.993 1
1 1620 . 1 2 2 B 3 3 GLY N N 333 141.077 111.550 29.527 1
1 1621 . 1 2 2 B 4 4 GLY H H 334 8.372 7.524 0.848 1
1 1622 . 1 2 2 B 4 4 GLY HA2 H 334 3.980 4.059 -0.079 1
1 1623 . 1 2 2 B 4 4 GLY HA3 H 334 3.980 4.066 -0.086 1
1 1624 . 1 2 2 B 4 4 GLY C C 334 174.758 171.730 3.028 1
1 1625 . 1 2 2 B 4 4 GLY CA C 334 75.674 45.684 29.990 1
1 1626 . 1 2 2 B 4 4 GLY N N 334 138.894 108.213 30.681 1
1 1627 . 1 2 2 B 5 5 ASP H H 335 8.429 8.754 -0.325 1
1 1628 . 1 2 2 B 5 5 ASP HA H 335 4.610 4.902 -0.292 1
1 1631 . 1 2 2 B 5 5 ASP CA C 335 85.066 53.309 31.757 1
1 1632 . 1 2 2 B 5 5 ASP CB C 335 71.191 39.092 32.099 1
1 1633 . 1 2 2 B 5 5 ASP N N 335 149.637 120.469 29.168 1
1 1634 . 1 2 2 B 6 6 ASP H H 336 8.244 8.266 -0.022 1
1 1635 . 1 2 2 B 6 6 ASP HA H 336 4.559 4.522 0.037 1
1 1638 . 1 2 2 B 6 6 ASP C C 336 175.432 175.577 -0.145 1
1 1639 . 1 2 2 B 6 6 ASP CA C 336 84.708 56.387 28.321 1
1 1640 . 1 2 2 B 6 6 ASP CB C 336 71.552 41.769 29.783 1
1 1641 . 1 2 2 B 6 6 ASP N N 336 148.885 123.148 25.737 1
1 1642 . 1 2 2 B 7 7 ASP H H 337 7.803 7.956 -0.153 1
1 1643 . 1 2 2 B 7 7 ASP HA H 337 4.655 5.025 -0.370 1
1 1646 . 1 2 2 B 7 7 ASP C C 337 175.362 175.189 0.173 1
1 1647 . 1 2 2 B 7 7 ASP CA C 337 83.670 53.237 30.433 1
1 1648 . 1 2 2 B 7 7 ASP CB C 337 71.933 44.419 27.514 1
1 1649 . 1 2 2 B 7 7 ASP N N 337 149.563 115.995 33.568 1
1 1650 . 1 2 2 B 8 8 TRP H H 338 8.472 8.495 -0.023 1
1 1651 . 1 2 2 B 8 8 TRP HA H 338 4.174 4.829 -0.655 1
1 1660 . 1 2 2 B 8 8 TRP C C 338 175.959 176.083 -0.124 1
1 1661 . 1 2 2 B 8 8 TRP CA C 338 87.020 57.486 29.534 1
1 1662 . 1 2 2 B 8 8 TRP CB C 338 61.223 30.154 31.069 1
1 1668 . 1 2 2 B 8 8 TRP N N 338 150.172 124.044 26.128 1
1 1670 . 1 2 2 B 9 9 THR H H 339 7.994 8.881 -0.887 1
1 1671 . 1 2 2 B 9 9 THR HA H 339 4.533 4.411 0.122 1
1 1676 . 1 2 2 B 9 9 THR C C 339 174.035 173.890 0.145 1
1 1677 . 1 2 2 B 9 9 THR CA C 339 92.659 61.310 31.349 1
1 1678 . 1 2 2 B 9 9 THR CB C 339 99.436 70.688 28.748 1
1 1680 . 1 2 2 B 9 9 THR N N 339 149.503 114.953 34.550 1
1 1681 . 1 2 2 B 10 10 HIS H H 340 9.463 8.128 1.335 1
1 1682 . 1 2 2 B 10 10 HIS HA H 340 4.677 5.231 -0.554 1
1 1687 . 1 2 2 B 10 10 HIS C C 340 175.606 174.061 1.545 1
1 1688 . 1 2 2 B 10 10 HIS CA C 340 87.024 54.536 32.488 1
1 1689 . 1 2 2 B 10 10 HIS CB C 340 61.368 31.305 30.063 1
1 1692 . 1 2 2 B 10 10 HIS N N 340 159.135 122.829 36.306 1
1 1693 . 1 2 2 B 11 11 LEU H H 341 8.398 9.286 -0.888 1
1 1694 . 1 2 2 B 11 11 LEU HA H 341 4.848 4.766 0.082 1
1 1704 . 1 2 2 B 11 11 LEU C C 341 175.919 175.713 0.206 1
1 1705 . 1 2 2 B 11 11 LEU CA C 341 83.684 54.137 29.547 1
1 1706 . 1 2 2 B 11 11 LEU CB C 341 73.601 41.048 32.553 1
1 1710 . 1 2 2 B 11 11 LEU N N 341 153.300 125.509 27.791 1
1 1711 . 1 2 2 B 12 12 SER H H 342 8.382 8.921 -0.539 1
1 1712 . 1 2 2 B 12 12 SER HA H 342 4.652 4.818 -0.166 1
1 1715 . 1 2 2 B 12 12 SER C C 342 174.263 174.583 -0.320 1
1 1716 . 1 2 2 B 12 12 SER CA C 342 86.841 58.240 28.601 1
1 1717 . 1 2 2 B 12 12 SER CB C 342 95.113 64.018 31.095 1
1 1718 . 1 2 2 B 12 12 SER N N 342 144.018 121.958 22.060 1
1 1719 . 1 2 2 B 13 13 SER H H 343 8.937 9.000 -0.063 1
1 1720 . 1 2 2 B 13 13 SER HA H 343 4.291 4.468 -0.177 1
1 1723 . 1 2 2 B 13 13 SER C C 343 174.652 174.961 -0.309 1
1 1724 . 1 2 2 B 13 13 SER CA C 343 89.546 59.931 29.615 1
1 1725 . 1 2 2 B 13 13 SER CB C 343 93.470 63.399 30.071 1
1 1726 . 1 2 2 B 13 13 SER N N 343 148.575 120.539 28.036 1
1 1727 . 1 2 2 B 14 14 LYS H H 344 8.250 8.268 -0.018 1
1 1728 . 1 2 2 B 14 14 LYS HA H 344 4.319 4.300 0.019 1
1 1737 . 1 2 2 B 14 14 LYS C C 344 176.699 177.499 -0.800 1
1 1738 . 1 2 2 B 14 14 LYS CA C 344 86.716 58.030 28.686 1
1 1739 . 1 2 2 B 14 14 LYS CB C 344 62.831 33.435 29.396 1
1 1743 . 1 2 2 B 14 14 LYS N N 344 151.908 119.549 32.359 1
1 1744 . 1 2 2 B 15 15 GLU H H 345 8.256 7.704 0.552 1
1 1745 . 1 2 2 B 15 15 GLU HA H 345 4.240 4.423 -0.183 1
1 1750 . 1 2 2 B 15 15 GLU C C 345 176.152 176.103 0.049 1
1 1751 . 1 2 2 B 15 15 GLU CA C 345 87.152 56.323 30.829 1
1 1752 . 1 2 2 B 15 15 GLU CB C 345 60.176 30.248 29.928 1
1 1754 . 1 2 2 B 15 15 GLU N N 345 150.679 117.816 32.863 1
1 1755 . 1 2 2 B 16 16 VAL H H 346 7.762 7.348 0.414 1
1 1756 . 1 2 2 B 16 16 VAL HA H 346 4.161 4.098 0.063 1
1 1764 . 1 2 2 B 16 16 VAL C C 346 174.646 175.961 -1.315 1
1 1765 . 1 2 2 B 16 16 VAL CA C 346 91.707 61.069 30.638 1
1 1766 . 1 2 2 B 16 16 VAL CB C 346 63.107 33.494 29.613 1
1 1769 . 1 2 2 B 16 16 VAL N N 346 146.718 117.229 29.489 1
1 9 . 2 1 1 A 2 2 MET H H 1 8.414 7.931 0.483 1
1 10 . 2 1 1 A 2 2 MET HA H 1 4.826 4.876 -0.050 1
1 18 . 2 1 1 A 2 2 MET CA C 1 53.382 52.600 0.782 1
1 19 . 2 1 1 A 2 2 MET CB C 1 32.478 35.848 -3.370 1
1 22 . 2 1 1 A 2 2 MET N N 1 122.882 123.231 -0.349 1
1 23 . 2 1 1 A 3 3 PRO HA H 2 4.425 4.471 -0.046 1
1 30 . 2 1 1 A 3 3 PRO C C 2 176.847 176.446 0.401 1
1 31 . 2 1 1 A 3 3 PRO CA C 2 63.386 64.560 -1.174 1
1 32 . 2 1 1 A 3 3 PRO CB C 2 32.077 32.297 -0.220 1
1 35 . 2 1 1 A 4 4 SER H H 3 8.347 7.820 0.527 1
1 36 . 2 1 1 A 4 4 SER HA H 3 4.391 5.161 -0.770 1
1 39 . 2 1 1 A 4 4 SER C C 3 174.643 172.189 2.454 1
1 40 . 2 1 1 A 4 4 SER CA C 3 58.336 57.823 0.513 1
1 41 . 2 1 1 A 4 4 SER CB C 3 63.798 65.507 -1.709 1
1 42 . 2 1 1 A 4 4 SER N N 3 115.234 114.334 0.900 1
1 43 . 2 1 1 A 5 5 GLU H H 4 8.472 8.781 -0.309 1
1 44 . 2 1 1 A 5 5 GLU HA H 4 4.297 4.997 -0.700 1
1 49 . 2 1 1 A 5 5 GLU C C 4 176.352 176.305 0.047 1
1 50 . 2 1 1 A 5 5 GLU CA C 4 56.572 55.036 1.536 1
1 51 . 2 1 1 A 5 5 GLU CB C 4 30.285 32.407 -2.122 1
1 53 . 2 1 1 A 5 5 GLU N N 4 123.045 125.856 -2.811 1
1 54 . 2 1 1 A 6 6 LYS H H 5 8.214 8.435 -0.221 1
1 55 . 2 1 1 A 6 6 LYS HA H 5 4.500 4.305 0.195 1
1 64 . 2 1 1 A 6 6 LYS C C 5 177.243 176.058 1.185 1
1 65 . 2 1 1 A 6 6 LYS CA C 5 55.943 56.696 -0.753 1
1 66 . 2 1 1 A 6 6 LYS CB C 5 34.621 33.535 1.086 1
1 70 . 2 1 1 A 6 6 LYS N N 5 121.467 126.288 -4.821 1
1 71 . 2 1 1 A 7 7 THR H H 6 8.431 8.333 0.098 1
1 72 . 2 1 1 A 7 7 THR HA H 6 4.383 5.012 -0.629 1
1 77 . 2 1 1 A 7 7 THR C C 6 175.360 176.173 -0.813 1
1 78 . 2 1 1 A 7 7 THR CA C 6 61.124 59.276 1.848 1
1 79 . 2 1 1 A 7 7 THR CB C 6 69.863 71.784 -1.921 1
1 81 . 2 1 1 A 7 7 THR N N 6 114.691 111.470 3.221 1
1 82 . 2 1 1 A 8 8 PHE H H 7 10.194 9.597 0.597 1
1 83 . 2 1 1 A 8 8 PHE HA H 7 3.904 4.238 -0.334 1
1 88 . 2 1 1 A 8 8 PHE C C 7 177.000 177.755 -0.755 1
1 89 . 2 1 1 A 8 8 PHE CA C 7 63.388 60.549 2.839 1
1 90 . 2 1 1 A 8 8 PHE CB C 7 39.586 38.782 0.804 1
1 92 . 2 1 1 A 8 8 PHE N N 7 124.861 123.270 1.591 1
1 93 . 2 1 1 A 9 9 LYS H H 8 8.707 8.376 0.331 1
1 94 . 2 1 1 A 9 9 LYS HA H 8 3.761 4.167 -0.406 1
1 103 . 2 1 1 A 9 9 LYS C C 8 177.496 178.840 -1.344 1
1 104 . 2 1 1 A 9 9 LYS CA C 8 59.945 59.286 0.659 1
1 105 . 2 1 1 A 9 9 LYS CB C 8 33.870 31.913 1.957 1
1 109 . 2 1 1 A 9 9 LYS N N 8 114.189 117.553 -3.364 1
1 110 . 2 1 1 A 10 10 GLN H H 9 7.284 8.204 -0.920 1
1 111 . 2 1 1 A 10 10 GLN HA H 9 4.113 4.184 -0.071 1
1 118 . 2 1 1 A 10 10 GLN C C 9 177.416 178.147 -0.731 1
1 119 . 2 1 1 A 10 10 GLN CA C 9 56.743 58.000 -1.257 1
1 120 . 2 1 1 A 10 10 GLN CB C 9 30.002 28.909 1.093 1
1 123 . 2 1 1 A 10 10 GLN N N 9 112.843 119.130 -6.287 1
1 125 . 2 1 1 A 11 11 ARG H H 10 7.889 8.246 -0.357 1
1 126 . 2 1 1 A 11 11 ARG HA H 10 4.255 3.964 0.291 1
1 133 . 2 1 1 A 11 11 ARG C C 10 175.059 176.511 -1.452 1
1 134 . 2 1 1 A 11 11 ARG CA C 10 57.018 59.502 -2.484 1
1 135 . 2 1 1 A 11 11 ARG CB C 10 31.628 30.339 1.289 1
1 138 . 2 1 1 A 11 11 ARG N N 10 117.567 120.890 -3.323 1
1 139 . 2 1 1 A 12 12 ARG H H 11 7.443 7.820 -0.377 1
1 140 . 2 1 1 A 12 12 ARG HA H 11 4.493 4.334 0.159 1
1 147 . 2 1 1 A 12 12 ARG CA C 11 54.172 56.620 -2.448 1
1 148 . 2 1 1 A 12 12 ARG CB C 11 32.857 30.550 2.307 1
1 151 . 2 1 1 A 12 12 ARG N N 11 122.786 119.941 2.845 1
1 152 . 2 1 1 A 13 13 SER HA H 12 4.403 4.517 -0.114 1
1 155 . 2 1 1 A 13 13 SER C C 12 174.222 175.324 -1.102 1
1 156 . 2 1 1 A 13 13 SER CA C 12 58.274 60.039 -1.765 1
1 157 . 2 1 1 A 13 13 SER CB C 12 64.821 63.577 1.244 1
1 158 . 2 1 1 A 14 14 PHE H H 13 9.239 9.285 -0.046 1
1 159 . 2 1 1 A 14 14 PHE HA H 13 4.035 4.108 -0.073 1
1 165 . 2 1 1 A 14 14 PHE C C 13 176.023 177.414 -1.391 1
1 166 . 2 1 1 A 14 14 PHE CA C 13 62.790 62.774 0.016 1
1 167 . 2 1 1 A 14 14 PHE CB C 13 39.580 39.896 -0.316 1
1 169 . 2 1 1 A 14 14 PHE N N 13 123.729 126.285 -2.556 1
1 170 . 2 1 1 A 15 15 GLU H H 14 9.093 8.511 0.582 1
1 171 . 2 1 1 A 15 15 GLU HA H 14 3.813 4.093 -0.280 1
1 176 . 2 1 1 A 15 15 GLU C C 14 179.549 179.157 0.392 1
1 177 . 2 1 1 A 15 15 GLU CA C 14 60.444 59.320 1.124 1
1 178 . 2 1 1 A 15 15 GLU CB C 14 28.804 29.615 -0.811 1
1 180 . 2 1 1 A 15 15 GLU N N 14 115.336 119.099 -3.763 1
1 181 . 2 1 1 A 16 16 GLN H H 15 7.752 8.434 -0.682 1
1 182 . 2 1 1 A 16 16 GLN HA H 15 4.044 4.002 0.042 1
1 189 . 2 1 1 A 16 16 GLN C C 15 177.931 178.313 -0.382 1
1 190 . 2 1 1 A 16 16 GLN CA C 15 58.486 58.942 -0.456 1
1 191 . 2 1 1 A 16 16 GLN CB C 15 29.393 28.779 0.614 1
1 194 . 2 1 1 A 16 16 GLN N N 15 119.145 119.004 0.141 1
1 196 . 2 1 1 A 17 17 ARG H H 16 8.577 7.957 0.620 1
1 197 . 2 1 1 A 17 17 ARG HA H 16 4.280 4.214 0.066 1
1 202 . 2 1 1 A 17 17 ARG C C 16 177.128 178.829 -1.701 1
1 203 . 2 1 1 A 17 17 ARG CA C 16 61.442 59.416 2.026 1
1 204 . 2 1 1 A 17 17 ARG N N 16 121.288 119.220 2.068 1
1 205 . 2 1 1 A 18 18 VAL H H 17 8.329 8.414 -0.085 1
1 206 . 2 1 1 A 18 18 VAL HA H 17 3.938 3.726 0.212 1
1 214 . 2 1 1 A 18 18 VAL C C 17 179.744 177.982 1.762 1
1 215 . 2 1 1 A 18 18 VAL CA C 17 65.441 65.451 -0.010 1
1 216 . 2 1 1 A 18 18 VAL CB C 17 32.080 31.446 0.634 1
1 219 . 2 1 1 A 18 18 VAL N N 17 116.752 117.550 -0.798 1
1 220 . 2 1 1 A 19 19 GLU H H 18 7.445 7.600 -0.155 1
1 221 . 2 1 1 A 19 19 GLU HA H 18 4.270 3.954 0.316 1
1 226 . 2 1 1 A 19 19 GLU C C 18 177.625 178.764 -1.139 1
1 227 . 2 1 1 A 19 19 GLU CA C 18 58.637 59.249 -0.612 1
1 228 . 2 1 1 A 19 19 GLU CB C 18 29.398 29.010 0.388 1
1 230 . 2 1 1 A 19 19 GLU N N 18 120.323 121.766 -1.443 1
1 231 . 2 1 1 A 20 20 ASP H H 19 8.690 8.387 0.303 1
1 232 . 2 1 1 A 20 20 ASP HA H 19 4.514 4.366 0.148 1
1 235 . 2 1 1 A 20 20 ASP C C 19 179.877 178.672 1.205 1
1 236 . 2 1 1 A 20 20 ASP CA C 19 57.224 57.716 -0.492 1
1 237 . 2 1 1 A 20 20 ASP CB C 19 41.487 41.853 -0.366 1
1 238 . 2 1 1 A 20 20 ASP N N 19 120.313 120.540 -0.227 1
1 239 . 2 1 1 A 21 21 VAL H H 20 7.731 7.634 0.097 1
1 240 . 2 1 1 A 21 21 VAL HA H 20 3.394 3.187 0.207 1
1 248 . 2 1 1 A 21 21 VAL C C 20 176.989 177.622 -0.633 1
1 249 . 2 1 1 A 21 21 VAL CA C 20 65.989 66.236 -0.247 1
1 250 . 2 1 1 A 21 21 VAL CB C 20 31.291 31.290 0.001 1
1 253 . 2 1 1 A 21 21 VAL N N 20 119.119 119.560 -0.441 1
1 254 . 2 1 1 A 22 22 ARG H H 21 8.313 7.954 0.359 1
1 255 . 2 1 1 A 22 22 ARG HA H 21 3.825 3.957 -0.132 1
1 263 . 2 1 1 A 22 22 ARG C C 21 180.178 178.636 1.542 1
1 264 . 2 1 1 A 22 22 ARG CA C 21 59.821 59.348 0.473 1
1 265 . 2 1 1 A 22 22 ARG CB C 21 30.164 29.965 0.199 1
1 269 . 2 1 1 A 22 22 ARG N N 21 120.772 119.992 0.780 1
1 271 . 2 1 1 A 23 23 LEU H H 22 8.306 7.448 0.858 1
1 272 . 2 1 1 A 23 23 LEU HA H 22 4.076 3.905 0.171 1
1 282 . 2 1 1 A 23 23 LEU C C 22 180.221 179.139 1.082 1
1 283 . 2 1 1 A 23 23 LEU CA C 22 57.541 58.038 -0.497 1
1 284 . 2 1 1 A 23 23 LEU CB C 22 42.300 41.477 0.823 1
1 288 . 2 1 1 A 23 23 LEU N N 22 116.413 119.441 -3.028 1
1 289 . 2 1 1 A 24 24 ILE H H 23 7.864 7.737 0.127 1
1 290 . 2 1 1 A 24 24 ILE HA H 23 4.090 3.890 0.200 1
1 300 . 2 1 1 A 24 24 ILE C C 23 177.922 178.369 -0.447 1
1 301 . 2 1 1 A 24 24 ILE CA C 23 60.190 64.631 -4.441 1
1 302 . 2 1 1 A 24 24 ILE CB C 23 38.072 37.646 0.426 1
1 306 . 2 1 1 A 24 24 ILE N N 23 121.259 118.595 2.664 1
1 307 . 2 1 1 A 25 25 ARG H H 24 8.339 8.241 0.098 1
1 308 . 2 1 1 A 25 25 ARG HA H 24 3.973 4.019 -0.046 1
1 316 . 2 1 1 A 25 25 ARG C C 24 178.479 178.361 0.118 1
1 317 . 2 1 1 A 25 25 ARG CA C 24 57.337 59.440 -2.103 1
1 318 . 2 1 1 A 25 25 ARG CB C 24 28.663 30.495 -1.832 1
1 322 . 2 1 1 A 25 25 ARG N N 24 121.816 121.824 -0.008 1
1 324 . 2 1 1 A 26 26 GLU H H 25 7.133 8.421 -1.288 1
1 325 . 2 1 1 A 26 26 GLU HA H 25 4.052 4.133 -0.081 1
1 330 . 2 1 1 A 26 26 GLU C C 25 178.158 176.618 1.540 1
1 331 . 2 1 1 A 26 26 GLU CA C 25 58.367 57.527 0.840 1
1 332 . 2 1 1 A 26 26 GLU CB C 25 29.903 29.370 0.533 1
1 334 . 2 1 1 A 26 26 GLU N N 25 116.794 118.286 -1.492 1
1 335 . 2 1 1 A 27 27 GLN H H 26 7.283 8.130 -0.847 1
1 336 . 2 1 1 A 27 27 GLN HA H 26 3.888 4.353 -0.465 1
1 343 . 2 1 1 A 27 27 GLN C C 26 176.088 175.830 0.258 1
1 344 . 2 1 1 A 27 27 GLN CA C 26 57.676 57.088 0.588 1
1 345 . 2 1 1 A 27 27 GLN CB C 26 30.382 30.832 -0.450 1
1 348 . 2 1 1 A 27 27 GLN N N 26 116.373 117.771 -1.398 1
1 350 . 2 1 1 A 28 28 HIS H H 27 8.223 8.569 -0.346 1
1 351 . 2 1 1 A 28 28 HIS HA H 27 4.941 5.063 -0.122 1
1 356 . 2 1 1 A 28 28 HIS CA C 27 53.278 53.150 0.128 1
1 357 . 2 1 1 A 28 28 HIS CB C 27 30.933 29.834 1.099 1
1 360 . 2 1 1 A 28 28 HIS N N 27 115.408 116.304 -0.896 1
1 361 . 2 1 1 A 29 29 PRO HA H 28 4.562 4.360 0.202 1
1 368 . 2 1 1 A 29 29 PRO C C 28 178.046 177.551 0.495 1
1 369 . 2 1 1 A 29 29 PRO CA C 28 64.821 64.583 0.238 1
1 370 . 2 1 1 A 29 29 PRO CB C 28 32.447 31.990 0.457 1
1 373 . 2 1 1 A 30 30 THR H H 29 7.820 7.789 0.031 1
1 374 . 2 1 1 A 30 30 THR HA H 29 4.583 4.347 0.236 1
1 379 . 2 1 1 A 30 30 THR C C 29 172.723 173.343 -0.620 1
1 380 . 2 1 1 A 30 30 THR CA C 29 60.826 61.481 -0.655 1
1 381 . 2 1 1 A 30 30 THR CB C 29 68.641 68.972 -0.331 1
1 383 . 2 1 1 A 30 30 THR N N 29 106.682 107.804 -1.122 1
1 384 . 2 1 1 A 31 31 LYS H H 30 7.453 7.497 -0.044 1
1 385 . 2 1 1 A 31 31 LYS HA H 30 4.850 5.049 -0.199 1
1 394 . 2 1 1 A 31 31 LYS C C 30 174.296 174.728 -0.432 1
1 395 . 2 1 1 A 31 31 LYS CA C 30 53.944 54.736 -0.792 1
1 396 . 2 1 1 A 31 31 LYS CB C 30 36.098 36.852 -0.754 1
1 400 . 2 1 1 A 31 31 LYS N N 30 117.809 120.496 -2.687 1
1 401 . 2 1 1 A 32 32 ILE H H 31 9.265 9.266 -0.001 1
1 402 . 2 1 1 A 32 32 ILE HA H 31 4.106 4.221 -0.115 1
1 412 . 2 1 1 A 32 32 ILE CA C 31 54.606 57.498 -2.892 1
1 413 . 2 1 1 A 32 32 ILE CB C 31 38.448 38.459 -0.011 1
1 417 . 2 1 1 A 32 32 ILE N N 31 122.497 122.824 -0.327 1
1 418 . 2 1 1 A 33 33 PRO HA H 32 5.252 4.913 0.339 1
1 425 . 2 1 1 A 33 33 PRO C C 32 174.652 176.783 -2.131 1
1 426 . 2 1 1 A 33 33 PRO CA C 32 61.704 62.549 -0.845 1
1 427 . 2 1 1 A 33 33 PRO CB C 32 31.873 31.981 -0.108 1
1 430 . 2 1 1 A 34 34 VAL H H 33 9.359 8.641 0.718 1
1 431 . 2 1 1 A 34 34 VAL HA H 33 5.298 5.060 0.238 1
1 439 . 2 1 1 A 34 34 VAL C C 33 173.633 174.803 -1.170 1
1 440 . 2 1 1 A 34 34 VAL CA C 33 59.830 59.571 0.259 1
1 441 . 2 1 1 A 34 34 VAL CB C 33 36.154 36.206 -0.052 1
1 444 . 2 1 1 A 34 34 VAL N N 33 124.496 116.684 7.812 1
1 445 . 2 1 1 A 35 35 ILE H H 34 8.667 9.249 -0.582 1
1 446 . 2 1 1 A 35 35 ILE HA H 34 4.867 4.971 -0.104 1
1 456 . 2 1 1 A 35 35 ILE C C 34 175.770 174.894 0.876 1
1 457 . 2 1 1 A 35 35 ILE CA C 34 56.320 60.307 -3.987 1
1 458 . 2 1 1 A 35 35 ILE CB C 34 36.909 39.347 -2.438 1
1 462 . 2 1 1 A 35 35 ILE N N 34 127.447 122.093 5.354 1
1 463 . 2 1 1 A 36 36 ILE H H 35 8.422 8.893 -0.471 1
1 464 . 2 1 1 A 36 36 ILE HA H 35 4.890 5.182 -0.292 1
1 474 . 2 1 1 A 36 36 ILE C C 35 175.098 176.060 -0.962 1
1 475 . 2 1 1 A 36 36 ILE CA C 35 60.806 60.593 0.213 1
1 476 . 2 1 1 A 36 36 ILE CB C 35 39.357 38.456 0.901 1
1 480 . 2 1 1 A 36 36 ILE N N 35 124.267 128.727 -4.460 1
1 481 . 2 1 1 A 37 37 GLU H H 36 8.335 8.701 -0.366 1
1 482 . 2 1 1 A 37 37 GLU HA H 36 4.820 5.015 -0.195 1
1 487 . 2 1 1 A 37 37 GLU C C 36 173.502 175.766 -2.264 1
1 488 . 2 1 1 A 37 37 GLU CA C 36 54.214 54.252 -0.038 1
1 489 . 2 1 1 A 37 37 GLU CB C 36 35.547 33.713 1.834 1
1 491 . 2 1 1 A 37 37 GLU N N 36 123.296 126.231 -2.935 1
1 492 . 2 1 1 A 38 38 ARG H H 37 8.891 8.186 0.705 1
1 493 . 2 1 1 A 38 38 ARG HA H 37 2.755 3.307 -0.552 1
1 501 . 2 1 1 A 38 38 ARG C C 37 176.165 175.425 0.740 1
1 502 . 2 1 1 A 38 38 ARG CA C 37 56.235 55.919 0.316 1
1 503 . 2 1 1 A 38 38 ARG CB C 37 31.328 30.389 0.939 1
1 507 . 2 1 1 A 38 38 ARG N N 37 123.143 121.175 1.968 1
1 509 . 2 1 1 A 39 39 TYR H H 38 8.681 7.972 0.709 1
1 510 . 2 1 1 A 39 39 TYR HA H 38 4.331 4.385 -0.054 1
1 517 . 2 1 1 A 39 39 TYR C C 38 177.064 175.771 1.293 1
1 518 . 2 1 1 A 39 39 TYR CA C 38 57.769 58.964 -1.195 1
1 519 . 2 1 1 A 39 39 TYR CB C 38 39.552 38.842 0.710 1
1 522 . 2 1 1 A 39 39 TYR N N 38 128.699 122.822 5.877 1
1 523 . 2 1 1 A 40 40 LYS H H 39 8.454 8.201 0.253 1
1 524 . 2 1 1 A 40 40 LYS HA H 39 3.841 3.667 0.174 1
1 533 . 2 1 1 A 40 40 LYS C C 39 176.290 177.014 -0.724 1
1 534 . 2 1 1 A 40 40 LYS CA C 39 58.772 57.855 0.917 1
1 535 . 2 1 1 A 40 40 LYS CB C 39 31.738 31.554 0.184 1
1 539 . 2 1 1 A 40 40 LYS N N 39 130.022 125.443 4.579 1
1 540 . 2 1 1 A 41 41 GLY H H 40 5.457 8.622 -3.165 1
1 541 . 2 1 1 A 41 41 GLY HA2 H 40 3.306 4.007 -0.701 1
1 542 . 2 1 1 A 41 41 GLY HA3 H 40 3.999 4.093 -0.094 1
1 543 . 2 1 1 A 41 41 GLY C C 40 173.426 173.910 -0.484 1
1 544 . 2 1 1 A 41 41 GLY CA C 40 44.673 45.278 -0.605 1
1 545 . 2 1 1 A 41 41 GLY N N 40 104.628 112.812 -8.184 1
1 546 . 2 1 1 A 42 42 GLU H H 41 7.440 8.269 -0.829 1
1 547 . 2 1 1 A 42 42 GLU HA H 41 4.278 4.628 -0.350 1
1 552 . 2 1 1 A 42 42 GLU C C 41 176.306 176.482 -0.176 1
1 553 . 2 1 1 A 42 42 GLU CA C 41 56.358 55.198 1.160 1
1 554 . 2 1 1 A 42 42 GLU CB C 41 31.014 30.581 0.433 1
1 556 . 2 1 1 A 42 42 GLU N N 41 122.648 120.733 1.915 1
1 557 . 2 1 1 A 43 43 LYS H H 42 8.912 8.407 0.505 1
1 558 . 2 1 1 A 43 43 LYS HA H 42 4.680 4.594 0.086 1
1 567 . 2 1 1 A 43 43 LYS C C 42 177.063 178.481 -1.418 1
1 568 . 2 1 1 A 43 43 LYS CA C 42 55.652 56.984 -1.332 1
1 569 . 2 1 1 A 43 43 LYS CB C 42 34.871 34.058 0.813 1
1 573 . 2 1 1 A 43 43 LYS N N 42 123.569 123.190 0.379 1
1 574 . 2 1 1 A 44 44 GLN H H 43 8.446 8.077 0.369 1
1 575 . 2 1 1 A 44 44 GLN HA H 43 4.545 4.030 0.515 1
1 582 . 2 1 1 A 44 44 GLN C C 43 177.152 177.002 0.150 1
1 583 . 2 1 1 A 44 44 GLN CA C 43 57.561 58.999 -1.438 1
1 584 . 2 1 1 A 44 44 GLN CB C 43 30.671 28.631 2.040 1
1 587 . 2 1 1 A 44 44 GLN N N 43 118.990 118.504 0.486 1
1 589 . 2 1 1 A 45 45 LEU H H 44 9.043 8.101 0.942 1
1 590 . 2 1 1 A 45 45 LEU HA H 44 4.716 4.482 0.234 1
1 600 . 2 1 1 A 45 45 LEU CA C 44 53.078 53.884 -0.806 1
1 601 . 2 1 1 A 45 45 LEU CB C 44 43.614 41.190 2.424 1
1 605 . 2 1 1 A 45 45 LEU N N 44 120.375 120.158 0.217 1
1 606 . 2 1 1 A 46 46 PRO HA H 45 4.723 4.635 0.088 1
1 613 . 2 1 1 A 46 46 PRO C C 45 175.883 176.172 -0.289 1
1 614 . 2 1 1 A 46 46 PRO CA C 45 62.005 62.265 -0.260 1
1 615 . 2 1 1 A 46 46 PRO CB C 45 32.609 32.432 0.177 1
1 618 . 2 1 1 A 47 47 VAL H H 46 8.437 8.412 0.025 1
1 619 . 2 1 1 A 47 47 VAL HA H 46 3.914 4.520 -0.606 1
1 627 . 2 1 1 A 47 47 VAL C C 46 175.367 175.903 -0.536 1
1 628 . 2 1 1 A 47 47 VAL CA C 46 62.700 62.588 0.112 1
1 629 . 2 1 1 A 47 47 VAL CB C 46 32.927 32.400 0.527 1
1 632 . 2 1 1 A 47 47 VAL N N 46 118.440 121.564 -3.124 1
1 633 . 2 1 1 A 48 48 LEU H H 47 7.863 8.485 -0.622 1
1 634 . 2 1 1 A 48 48 LEU HA H 47 4.384 4.072 0.312 1
1 644 . 2 1 1 A 48 48 LEU C C 47 176.088 177.942 -1.854 1
1 645 . 2 1 1 A 48 48 LEU CA C 47 54.851 55.905 -1.054 1
1 646 . 2 1 1 A 48 48 LEU CB C 47 43.841 43.718 0.123 1
1 650 . 2 1 1 A 48 48 LEU N N 47 129.127 129.311 -0.184 1
1 651 . 2 1 1 A 49 49 ASP H H 48 8.699 8.573 0.126 1
1 652 . 2 1 1 A 49 49 ASP HA H 48 4.293 4.298 -0.005 1
1 655 . 2 1 1 A 49 49 ASP C C 48 175.121 176.249 -1.128 1
1 656 . 2 1 1 A 49 49 ASP CA C 48 55.717 57.264 -1.547 1
1 657 . 2 1 1 A 49 49 ASP CB C 48 40.260 40.762 -0.502 1
1 658 . 2 1 1 A 49 49 ASP N N 48 121.389 124.703 -3.314 1
1 659 . 2 1 1 A 50 50 LYS H H 49 7.251 7.514 -0.263 1
1 660 . 2 1 1 A 50 50 LYS HA H 49 4.540 4.472 0.068 1
1 669 . 2 1 1 A 50 50 LYS C C 49 174.664 176.032 -1.368 1
1 670 . 2 1 1 A 50 50 LYS CA C 49 53.211 55.226 -2.015 1
1 671 . 2 1 1 A 50 50 LYS CB C 49 35.514 32.927 2.587 1
1 675 . 2 1 1 A 50 50 LYS N N 49 118.260 114.190 4.070 1
1 676 . 2 1 1 A 51 51 THR H H 50 8.162 8.158 0.004 1
1 677 . 2 1 1 A 51 51 THR HA H 50 4.685 4.868 -0.183 1
1 682 . 2 1 1 A 51 51 THR C C 50 171.631 174.674 -3.043 1
1 683 . 2 1 1 A 51 51 THR CA C 50 63.581 62.034 1.547 1
1 684 . 2 1 1 A 51 51 THR CB C 50 71.587 70.105 1.482 1
1 686 . 2 1 1 A 51 51 THR N N 50 112.535 111.144 1.391 1
1 687 . 2 1 1 A 52 52 LYS H H 51 6.971 7.627 -0.656 1
1 688 . 2 1 1 A 52 52 LYS HA H 51 4.443 4.746 -0.303 1
1 697 . 2 1 1 A 52 52 LYS C C 51 175.417 175.950 -0.533 1
1 698 . 2 1 1 A 52 52 LYS CA C 51 55.209 55.666 -0.457 1
1 699 . 2 1 1 A 52 52 LYS CB C 51 33.309 33.860 -0.551 1
1 703 . 2 1 1 A 52 52 LYS N N 51 120.227 121.625 -1.398 1
1 704 . 2 1 1 A 53 53 PHE H H 52 9.688 8.886 0.802 1
1 705 . 2 1 1 A 53 53 PHE HA H 52 5.675 4.952 0.723 1
1 712 . 2 1 1 A 53 53 PHE C C 52 174.348 174.645 -0.297 1
1 713 . 2 1 1 A 53 53 PHE CA C 52 56.625 56.658 -0.033 1
1 714 . 2 1 1 A 53 53 PHE CB C 52 43.109 43.234 -0.125 1
1 716 . 2 1 1 A 53 53 PHE N N 52 124.646 121.558 3.088 1
1 717 . 2 1 1 A 54 54 LEU H H 53 8.470 9.077 -0.607 1
1 718 . 2 1 1 A 54 54 LEU HA H 53 5.044 4.832 0.212 1
1 728 . 2 1 1 A 54 54 LEU C C 53 176.144 175.108 1.036 1
1 729 . 2 1 1 A 54 54 LEU CA C 53 52.954 53.188 -0.234 1
1 730 . 2 1 1 A 54 54 LEU CB C 53 45.081 42.221 2.860 1
1 734 . 2 1 1 A 54 54 LEU N N 53 119.430 123.958 -4.528 1
1 735 . 2 1 1 A 55 55 VAL H H 54 8.802 8.679 0.123 1
1 736 . 2 1 1 A 55 55 VAL HA H 54 4.640 4.741 -0.101 1
1 744 . 2 1 1 A 55 55 VAL CA C 54 58.549 59.907 -1.358 1
1 745 . 2 1 1 A 55 55 VAL CB C 54 35.342 33.585 1.757 1
1 748 . 2 1 1 A 55 55 VAL N N 54 123.841 125.305 -1.464 1
1 749 . 2 1 1 A 56 56 PRO HA H 55 4.439 4.739 -0.300 1
1 756 . 2 1 1 A 56 56 PRO C C 55 176.666 176.753 -0.087 1
1 757 . 2 1 1 A 56 56 PRO CA C 55 64.256 62.507 1.749 1
1 758 . 2 1 1 A 56 56 PRO CB C 55 32.783 31.939 0.844 1
1 761 . 2 1 1 A 57 57 ASP H H 56 8.412 8.045 0.367 1
1 762 . 2 1 1 A 57 57 ASP HA H 56 3.848 4.582 -0.734 1
1 765 . 2 1 1 A 57 57 ASP C C 56 175.417 176.683 -1.266 1
1 766 . 2 1 1 A 57 57 ASP CA C 56 56.616 53.888 2.728 1
1 767 . 2 1 1 A 57 57 ASP CB C 56 40.410 39.893 0.517 1
1 768 . 2 1 1 A 57 57 ASP N N 56 120.415 122.487 -2.072 1
1 769 . 2 1 1 A 58 58 HIS H H 57 7.373 8.251 -0.878 1
1 770 . 2 1 1 A 58 58 HIS HA H 57 4.770 4.872 -0.102 1
1 775 . 2 1 1 A 58 58 HIS C C 57 176.594 174.157 2.437 1
1 776 . 2 1 1 A 58 58 HIS CA C 57 55.584 55.226 0.358 1
1 777 . 2 1 1 A 58 58 HIS CB C 57 30.628 31.349 -0.721 1
1 780 . 2 1 1 A 58 58 HIS N N 57 113.439 114.577 -1.138 1
1 781 . 2 1 1 A 59 59 VAL H H 58 7.249 7.651 -0.402 1
1 782 . 2 1 1 A 59 59 VAL HA H 58 3.903 4.795 -0.892 1
1 790 . 2 1 1 A 59 59 VAL C C 58 175.014 174.256 0.758 1
1 791 . 2 1 1 A 59 59 VAL CA C 58 62.726 58.935 3.791 1
1 792 . 2 1 1 A 59 59 VAL CB C 58 32.190 36.384 -4.194 1
1 795 . 2 1 1 A 59 59 VAL N N 58 122.597 115.880 6.717 1
1 796 . 2 1 1 A 60 60 ASN H H 59 8.677 8.466 0.211 1
1 797 . 2 1 1 A 60 60 ASN HA H 59 5.187 5.125 0.062 1
1 802 . 2 1 1 A 60 60 ASN C C 59 176.477 176.820 -0.343 1
1 803 . 2 1 1 A 60 60 ASN CA C 59 51.181 51.300 -0.119 1
1 804 . 2 1 1 A 60 60 ASN CB C 59 39.947 40.477 -0.530 1
1 806 . 2 1 1 A 60 60 ASN N N 59 122.962 119.864 3.098 1
1 808 . 2 1 1 A 61 61 MET H H 60 8.038 8.538 -0.500 1
1 809 . 2 1 1 A 61 61 MET HA H 60 4.426 4.237 0.189 1
1 817 . 2 1 1 A 61 61 MET C C 60 177.996 178.474 -0.478 1
1 818 . 2 1 1 A 61 61 MET CA C 60 57.118 58.051 -0.933 1
1 819 . 2 1 1 A 61 61 MET CB C 60 29.998 32.260 -2.262 1
1 822 . 2 1 1 A 61 61 MET N N 60 116.814 119.278 -2.464 1
1 823 . 2 1 1 A 62 62 SER H H 61 8.401 8.158 0.243 1
1 824 . 2 1 1 A 62 62 SER HA H 61 4.132 4.119 0.013 1
1 827 . 2 1 1 A 62 62 SER C C 61 177.255 177.472 -0.217 1
1 828 . 2 1 1 A 62 62 SER CA C 61 61.559 61.474 0.085 1
1 829 . 2 1 1 A 62 62 SER CB C 61 62.430 63.174 -0.744 1
1 830 . 2 1 1 A 62 62 SER N N 61 114.109 115.576 -1.467 1
1 831 . 2 1 1 A 63 63 GLU H H 62 8.014 7.842 0.172 1
1 832 . 2 1 1 A 63 63 GLU HA H 62 4.016 3.987 0.029 1
1 837 . 2 1 1 A 63 63 GLU C C 62 178.327 178.961 -0.634 1
1 838 . 2 1 1 A 63 63 GLU CA C 62 58.787 59.370 -0.583 1
1 839 . 2 1 1 A 63 63 GLU CB C 62 29.814 29.366 0.448 1
1 841 . 2 1 1 A 63 63 GLU N N 62 122.806 121.423 1.383 1
1 842 . 2 1 1 A 64 64 LEU H H 63 8.254 8.232 0.022 1
1 843 . 2 1 1 A 64 64 LEU HA H 63 3.932 4.023 -0.091 1
1 853 . 2 1 1 A 64 64 LEU C C 63 178.029 178.441 -0.412 1
1 854 . 2 1 1 A 64 64 LEU CA C 63 57.986 57.957 0.029 1
1 855 . 2 1 1 A 64 64 LEU CB C 63 41.377 41.864 -0.487 1
1 859 . 2 1 1 A 64 64 LEU N N 63 120.526 121.930 -1.404 1
1 860 . 2 1 1 A 65 65 ILE H H 64 8.415 8.567 -0.152 1
1 861 . 2 1 1 A 65 65 ILE HA H 64 3.377 3.663 -0.286 1
1 871 . 2 1 1 A 65 65 ILE C C 64 177.078 178.198 -1.120 1
1 872 . 2 1 1 A 65 65 ILE CA C 64 66.699 65.757 0.942 1
1 873 . 2 1 1 A 65 65 ILE CB C 64 38.128 37.555 0.573 1
1 877 . 2 1 1 A 65 65 ILE N N 64 118.349 119.841 -1.492 1
1 878 . 2 1 1 A 66 66 LYS H H 65 7.366 8.212 -0.846 1
1 879 . 2 1 1 A 66 66 LYS HA H 65 3.696 4.051 -0.355 1
1 888 . 2 1 1 A 66 66 LYS C C 65 179.260 179.729 -0.469 1
1 889 . 2 1 1 A 66 66 LYS CA C 65 60.593 59.779 0.814 1
1 890 . 2 1 1 A 66 66 LYS CB C 65 32.421 32.477 -0.056 1
1 894 . 2 1 1 A 66 66 LYS N N 65 118.334 119.245 -0.911 1
1 895 . 2 1 1 A 67 67 ILE H H 66 8.179 8.450 -0.271 1
1 896 . 2 1 1 A 67 67 ILE HA H 66 3.546 3.740 -0.194 1
1 906 . 2 1 1 A 67 67 ILE C C 66 178.784 178.686 0.098 1
1 907 . 2 1 1 A 67 67 ILE CA C 66 65.488 64.706 0.782 1
1 908 . 2 1 1 A 67 67 ILE CB C 66 38.593 36.992 1.601 1
1 912 . 2 1 1 A 67 67 ILE N N 66 119.791 120.787 -0.996 1
1 913 . 2 1 1 A 68 68 ILE H H 67 8.279 8.048 0.231 1
1 914 . 2 1 1 A 68 68 ILE HA H 67 3.391 3.535 -0.144 1
1 924 . 2 1 1 A 68 68 ILE C C 67 177.403 177.542 -0.139 1
1 925 . 2 1 1 A 68 68 ILE CA C 67 63.144 64.796 -1.652 1
1 926 . 2 1 1 A 68 68 ILE CB C 67 35.269 37.452 -2.183 1
1 930 . 2 1 1 A 68 68 ILE N N 67 120.267 122.085 -1.818 1
1 931 . 2 1 1 A 69 69 ARG H H 68 8.454 8.179 0.275 1
1 932 . 2 1 1 A 69 69 ARG HA H 68 2.966 3.384 -0.418 1
1 939 . 2 1 1 A 69 69 ARG C C 68 178.385 178.024 0.361 1
1 940 . 2 1 1 A 69 69 ARG CA C 68 60.642 58.455 2.187 1
1 941 . 2 1 1 A 69 69 ARG CB C 68 30.442 29.951 0.491 1
1 944 . 2 1 1 A 69 69 ARG N N 68 118.881 120.411 -1.530 1
1 945 . 2 1 1 A 70 70 ARG H H 69 7.492 8.224 -0.732 1
1 946 . 2 1 1 A 70 70 ARG HA H 69 4.164 4.042 0.122 1
1 954 . 2 1 1 A 70 70 ARG C C 69 180.253 178.727 1.526 1
1 955 . 2 1 1 A 70 70 ARG CA C 69 58.510 59.394 -0.884 1
1 956 . 2 1 1 A 70 70 ARG CB C 69 29.587 29.881 -0.294 1
1 960 . 2 1 1 A 70 70 ARG N N 69 116.411 118.944 -2.533 1
1 962 . 2 1 1 A 71 71 ARG H H 70 8.086 8.097 -0.011 1
1 963 . 2 1 1 A 71 71 ARG HA H 70 4.025 4.023 0.002 1
1 970 . 2 1 1 A 71 71 ARG C C 70 178.558 178.461 0.097 1
1 971 . 2 1 1 A 71 71 ARG CA C 70 59.428 59.184 0.244 1
1 972 . 2 1 1 A 71 71 ARG CB C 70 30.235 30.326 -0.091 1
1 975 . 2 1 1 A 71 71 ARG N N 70 122.779 119.375 3.404 1
1 976 . 2 1 1 A 72 72 LEU H H 71 7.755 7.616 0.139 1
1 977 . 2 1 1 A 72 72 LEU HA H 71 4.081 4.026 0.055 1
1 987 . 2 1 1 A 72 72 LEU C C 71 174.852 176.586 -1.734 1
1 988 . 2 1 1 A 72 72 LEU CA C 71 55.060 56.147 -1.087 1
1 989 . 2 1 1 A 72 72 LEU CB C 71 43.109 41.434 1.675 1
1 993 . 2 1 1 A 72 72 LEU N N 71 116.551 119.114 -2.563 1
1 994 . 2 1 1 A 73 73 GLN H H 72 7.740 7.675 0.065 1
1 995 . 2 1 1 A 73 73 GLN HA H 72 3.853 3.952 -0.099 1
1 1002 . 2 1 1 A 73 73 GLN C C 72 175.619 174.905 0.714 1
1 1003 . 2 1 1 A 73 73 GLN CA C 72 56.273 56.538 -0.265 1
1 1004 . 2 1 1 A 73 73 GLN CB C 72 25.939 26.429 -0.490 1
1 1007 . 2 1 1 A 73 73 GLN N N 72 114.737 117.871 -3.134 1
1 1009 . 2 1 1 A 74 74 LEU H H 73 7.525 7.906 -0.381 1
1 1010 . 2 1 1 A 74 74 LEU HA H 73 4.242 4.399 -0.157 1
1 1020 . 2 1 1 A 74 74 LEU C C 73 178.611 176.506 2.105 1
1 1021 . 2 1 1 A 74 74 LEU CA C 73 54.382 54.523 -0.141 1
1 1022 . 2 1 1 A 74 74 LEU CB C 73 41.995 42.311 -0.316 1
1 1026 . 2 1 1 A 74 74 LEU N N 73 114.861 120.500 -5.639 1
1 1027 . 2 1 1 A 75 75 ASN H H 74 8.970 8.644 0.326 1
1 1028 . 2 1 1 A 75 75 ASN HA H 74 4.694 4.952 -0.258 1
1 1033 . 2 1 1 A 75 75 ASN C C 74 176.527 176.293 0.234 1
1 1034 . 2 1 1 A 75 75 ASN CA C 74 52.686 51.453 1.233 1
1 1035 . 2 1 1 A 75 75 ASN CB C 74 39.583 40.728 -1.145 1
1 1037 . 2 1 1 A 75 75 ASN N N 74 121.274 119.687 1.587 1
1 1039 . 2 1 1 A 76 76 ALA H H 75 8.697 8.829 -0.132 1
1 1040 . 2 1 1 A 76 76 ALA HA H 75 3.966 4.008 -0.042 1
1 1044 . 2 1 1 A 76 76 ALA C C 75 178.002 179.587 -1.585 1
1 1045 . 2 1 1 A 76 76 ALA CA C 75 54.797 54.757 0.040 1
1 1046 . 2 1 1 A 76 76 ALA CB C 75 18.669 18.334 0.335 1
1 1047 . 2 1 1 A 76 76 ALA N N 75 123.590 125.802 -2.212 1
1 1048 . 2 1 1 A 77 77 ASN H H 76 8.344 7.847 0.497 1
1 1049 . 2 1 1 A 77 77 ASN HA H 76 4.585 4.672 -0.087 1
1 1054 . 2 1 1 A 77 77 ASN C C 76 175.371 176.142 -0.771 1
1 1055 . 2 1 1 A 77 77 ASN CA C 76 53.183 55.045 -1.862 1
1 1056 . 2 1 1 A 77 77 ASN CB C 76 38.277 38.918 -0.641 1
1 1058 . 2 1 1 A 77 77 ASN N N 76 112.004 114.392 -2.388 1
1 1060 . 2 1 1 A 78 78 GLN H H 77 7.532 7.656 -0.124 1
1 1061 . 2 1 1 A 78 78 GLN HA H 77 4.281 4.192 0.089 1
1 1068 . 2 1 1 A 78 78 GLN C C 77 175.001 174.998 0.003 1
1 1069 . 2 1 1 A 78 78 GLN CA C 77 55.875 56.218 -0.343 1
1 1070 . 2 1 1 A 78 78 GLN CB C 77 30.227 29.224 1.003 1
1 1073 . 2 1 1 A 78 78 GLN N N 77 120.237 119.286 0.951 1
1 1075 . 2 1 1 A 79 79 ALA H H 78 8.732 8.453 0.279 1
1 1076 . 2 1 1 A 79 79 ALA HA H 78 4.183 5.504 -1.321 1
1 1080 . 2 1 1 A 79 79 ALA C C 78 176.367 175.741 0.626 1
1 1081 . 2 1 1 A 79 79 ALA CA C 78 52.798 50.162 2.636 1
1 1082 . 2 1 1 A 79 79 ALA CB C 78 20.051 22.922 -2.871 1
1 1083 . 2 1 1 A 79 79 ALA N N 78 130.399 127.424 2.975 1
1 1084 . 2 1 1 A 80 80 PHE H H 79 7.603 8.569 -0.966 1
1 1085 . 2 1 1 A 80 80 PHE HA H 79 4.449 5.249 -0.800 1
1 1093 . 2 1 1 A 80 80 PHE C C 79 171.709 173.007 -1.298 1
1 1094 . 2 1 1 A 80 80 PHE CA C 79 59.101 57.206 1.895 1
1 1095 . 2 1 1 A 80 80 PHE CB C 79 42.282 42.755 -0.473 1
1 1099 . 2 1 1 A 80 80 PHE N N 79 118.988 122.679 -3.691 1
1 1100 . 2 1 1 A 81 81 PHE H H 80 8.507 9.295 -0.788 1
1 1101 . 2 1 1 A 81 81 PHE HA H 80 4.421 4.466 -0.045 1
1 1109 . 2 1 1 A 81 81 PHE C C 80 172.644 173.836 -1.192 1
1 1110 . 2 1 1 A 81 81 PHE CA C 80 56.711 55.995 0.716 1
1 1111 . 2 1 1 A 81 81 PHE CB C 80 41.880 43.008 -1.128 1
1 1115 . 2 1 1 A 81 81 PHE N N 80 126.042 124.620 1.422 1
1 1116 . 2 1 1 A 82 82 LEU H H 81 8.199 8.752 -0.553 1
1 1117 . 2 1 1 A 82 82 LEU HA H 81 4.883 5.007 -0.124 1
1 1127 . 2 1 1 A 82 82 LEU C C 81 174.440 174.801 -0.361 1
1 1128 . 2 1 1 A 82 82 LEU CA C 81 53.153 53.837 -0.684 1
1 1129 . 2 1 1 A 82 82 LEU CB C 81 45.520 43.980 1.540 1
1 1133 . 2 1 1 A 82 82 LEU N N 81 121.512 125.156 -3.644 1
1 1134 . 2 1 1 A 83 83 LEU H H 82 9.349 9.942 -0.593 1
1 1135 . 2 1 1 A 83 83 LEU HA H 82 4.810 4.906 -0.096 1
1 1145 . 2 1 1 A 83 83 LEU C C 82 177.075 175.738 1.337 1
1 1146 . 2 1 1 A 83 83 LEU CA C 82 54.122 53.610 0.512 1
1 1147 . 2 1 1 A 83 83 LEU CB C 82 43.394 42.175 1.219 1
1 1151 . 2 1 1 A 83 83 LEU N N 82 125.253 129.337 -4.084 1
1 1152 . 2 1 1 A 84 84 VAL H H 83 8.681 9.059 -0.378 1
1 1153 . 2 1 1 A 84 84 VAL HA H 83 4.411 4.029 0.382 1
1 1161 . 2 1 1 A 84 84 VAL C C 83 175.797 176.317 -0.520 1
1 1162 . 2 1 1 A 84 84 VAL CA C 83 61.630 62.458 -0.828 1
1 1163 . 2 1 1 A 84 84 VAL CB C 83 33.647 31.136 2.511 1
1 1166 . 2 1 1 A 84 84 VAL N N 83 123.543 125.583 -2.040 1
1 1167 . 2 1 1 A 85 85 ASN H H 84 9.622 9.255 0.367 1
1 1168 . 2 1 1 A 85 85 ASN HA H 84 4.399 4.622 -0.223 1
1 1173 . 2 1 1 A 85 85 ASN C C 84 175.042 174.939 0.103 1
1 1174 . 2 1 1 A 85 85 ASN CA C 84 54.610 54.215 0.395 1
1 1175 . 2 1 1 A 85 85 ASN CB C 84 37.927 36.821 1.106 1
1 1177 . 2 1 1 A 85 85 ASN N N 84 125.848 127.250 -1.402 1
1 1179 . 2 1 1 A 86 86 GLY H H 85 8.551 8.351 0.200 1
1 1180 . 2 1 1 A 86 86 GLY HA2 H 85 3.368 3.899 -0.531 1
1 1181 . 2 1 1 A 86 86 GLY HA3 H 85 4.064 3.931 0.133 1
1 1182 . 2 1 1 A 86 86 GLY C C 85 173.524 173.648 -0.124 1
1 1183 . 2 1 1 A 86 86 GLY CA C 85 45.588 45.373 0.215 1
1 1184 . 2 1 1 A 86 86 GLY N N 85 101.093 104.114 -3.021 1
1 1185 . 2 1 1 A 87 87 HIS H H 86 7.906 7.323 0.583 1
1 1186 . 2 1 1 A 87 87 HIS HA H 86 5.003 5.193 -0.190 1
1 1191 . 2 1 1 A 87 87 HIS C C 86 173.910 174.395 -0.485 1
1 1192 . 2 1 1 A 87 87 HIS CA C 86 54.213 53.812 0.401 1
1 1193 . 2 1 1 A 87 87 HIS CB C 86 31.482 33.089 -1.607 1
1 1196 . 2 1 1 A 87 87 HIS N N 86 117.253 115.028 2.225 1
1 1197 . 2 1 1 A 88 88 SER H H 87 8.846 9.044 -0.198 1
1 1198 . 2 1 1 A 88 88 SER HA H 87 4.702 4.474 0.228 1
1 1201 . 2 1 1 A 88 88 SER C C 87 175.739 175.549 0.190 1
1 1202 . 2 1 1 A 88 88 SER CA C 87 58.245 58.011 0.234 1
1 1203 . 2 1 1 A 88 88 SER CB C 87 63.764 64.938 -1.174 1
1 1204 . 2 1 1 A 88 88 SER N N 87 117.469 114.931 2.538 1
1 1205 . 2 1 1 A 89 89 MET H H 88 9.174 8.573 0.601 1
1 1206 . 2 1 1 A 89 89 MET HA H 88 4.820 4.800 0.020 1
1 1214 . 2 1 1 A 89 89 MET C C 88 176.294 176.508 -0.214 1
1 1215 . 2 1 1 A 89 89 MET CA C 88 54.853 54.632 0.221 1
1 1216 . 2 1 1 A 89 89 MET CB C 88 33.183 33.242 -0.059 1
1 1219 . 2 1 1 A 89 89 MET N N 88 125.111 117.348 7.763 1
1 1220 . 2 1 1 A 90 90 VAL H H 89 8.217 7.561 0.656 1
1 1221 . 2 1 1 A 90 90 VAL HA H 89 4.063 3.747 0.316 1
1 1229 . 2 1 1 A 90 90 VAL C C 89 176.249 176.889 -0.640 1
1 1230 . 2 1 1 A 90 90 VAL CA C 89 63.377 63.503 -0.126 1
1 1231 . 2 1 1 A 90 90 VAL CB C 89 32.473 31.648 0.825 1
1 1234 . 2 1 1 A 90 90 VAL N N 89 120.477 122.234 -1.757 1
1 1235 . 2 1 1 A 91 91 SER H H 90 8.356 8.920 -0.564 1
1 1236 . 2 1 1 A 91 91 SER HA H 90 4.614 4.165 0.449 1
1 1239 . 2 1 1 A 91 91 SER C C 90 175.841 174.250 1.591 1
1 1240 . 2 1 1 A 91 91 SER CA C 90 57.860 59.467 -1.607 1
1 1241 . 2 1 1 A 91 91 SER CB C 90 63.398 62.727 0.671 1
1 1242 . 2 1 1 A 91 91 SER N N 90 116.676 123.801 -7.125 1
1 1243 . 2 1 1 A 92 92 VAL H H 91 8.158 7.782 0.376 1
1 1244 . 2 1 1 A 92 92 VAL HA H 91 4.245 3.977 0.268 1
1 1252 . 2 1 1 A 92 92 VAL C C 91 175.856 175.759 0.097 1
1 1253 . 2 1 1 A 92 92 VAL CA C 91 63.121 63.473 -0.352 1
1 1254 . 2 1 1 A 92 92 VAL CB C 91 31.872 32.196 -0.324 1
1 1257 . 2 1 1 A 92 92 VAL N N 91 119.994 121.876 -1.882 1
1 1258 . 2 1 1 A 93 93 SER H H 92 8.368 8.762 -0.394 1
1 1259 . 2 1 1 A 93 93 SER HA H 92 4.581 4.774 -0.193 1
1 1262 . 2 1 1 A 93 93 SER C C 92 174.154 172.606 1.548 1
1 1263 . 2 1 1 A 93 93 SER CA C 92 57.706 58.088 -0.382 1
1 1264 . 2 1 1 A 93 93 SER CB C 92 63.126 64.664 -1.538 1
1 1265 . 2 1 1 A 93 93 SER N N 92 116.504 125.315 -8.811 1
1 1266 . 2 1 1 A 94 94 THR H H 93 7.427 7.538 -0.111 1
1 1267 . 2 1 1 A 94 94 THR HA H 93 4.464 4.651 -0.187 1
1 1272 . 2 1 1 A 94 94 THR CA C 93 61.032 59.142 1.890 1
1 1273 . 2 1 1 A 94 94 THR CB C 93 70.505 71.580 -1.075 1
1 1275 . 2 1 1 A 94 94 THR N N 93 119.172 116.712 2.460 1
1 1276 . 2 1 1 A 95 95 PRO HA H 94 4.426 4.712 -0.286 1
1 1283 . 2 1 1 A 95 95 PRO C C 94 178.692 178.002 0.690 1
1 1284 . 2 1 1 A 95 95 PRO CA C 94 62.921 62.673 0.248 1
1 1285 . 2 1 1 A 95 95 PRO CB C 94 32.774 32.645 0.129 1
1 1288 . 2 1 1 A 96 96 ILE H H 95 9.324 9.017 0.307 1
1 1289 . 2 1 1 A 96 96 ILE HA H 95 3.956 4.016 -0.060 1
1 1299 . 2 1 1 A 96 96 ILE C C 95 176.415 176.882 -0.467 1
1 1300 . 2 1 1 A 96 96 ILE CA C 95 63.880 63.501 0.379 1
1 1301 . 2 1 1 A 96 96 ILE CB C 95 38.055 38.136 -0.081 1
1 1305 . 2 1 1 A 96 96 ILE N N 95 123.862 125.367 -1.505 1
1 1306 . 2 1 1 A 97 97 SER H H 96 8.211 8.332 -0.121 1
1 1307 . 2 1 1 A 97 97 SER HA H 96 3.978 4.094 -0.116 1
1 1310 . 2 1 1 A 97 97 SER C C 96 176.494 177.114 -0.620 1
1 1311 . 2 1 1 A 97 97 SER CA C 96 61.576 61.471 0.105 1
1 1312 . 2 1 1 A 97 97 SER CB C 96 61.262 62.300 -1.038 1
1 1313 . 2 1 1 A 97 97 SER N N 96 116.529 117.335 -0.806 1
1 1314 . 2 1 1 A 98 98 GLU H H 97 7.329 8.009 -0.680 1
1 1315 . 2 1 1 A 98 98 GLU HA H 97 4.290 4.312 -0.022 1
1 1320 . 2 1 1 A 98 98 GLU C C 97 179.288 178.874 0.414 1
1 1321 . 2 1 1 A 98 98 GLU CA C 97 58.705 59.055 -0.350 1
1 1322 . 2 1 1 A 98 98 GLU CB C 97 29.791 30.305 -0.514 1
1 1324 . 2 1 1 A 98 98 GLU N N 97 122.955 122.420 0.535 1
1 1325 . 2 1 1 A 99 99 VAL H H 98 7.386 8.409 -1.023 1
1 1326 . 2 1 1 A 99 99 VAL HA H 98 3.815 3.761 0.054 1
1 1334 . 2 1 1 A 99 99 VAL C C 98 177.662 178.091 -0.429 1
1 1335 . 2 1 1 A 99 99 VAL CA C 98 65.774 66.140 -0.366 1
1 1336 . 2 1 1 A 99 99 VAL CB C 98 32.047 31.700 0.347 1
1 1339 . 2 1 1 A 99 99 VAL N N 98 120.888 120.754 0.134 1
1 1340 . 2 1 1 A 100 100 TYR H H 99 8.984 7.757 1.227 1
1 1341 . 2 1 1 A 100 100 TYR HA H 99 4.013 4.318 -0.305 1
1 1348 . 2 1 1 A 100 100 TYR C C 99 176.355 178.131 -1.776 1
1 1349 . 2 1 1 A 100 100 TYR CA C 99 62.118 60.948 1.170 1
1 1350 . 2 1 1 A 100 100 TYR CB C 99 38.921 38.392 0.529 1
1 1353 . 2 1 1 A 100 100 TYR N N 99 118.874 120.671 -1.797 1
1 1354 . 2 1 1 A 101 101 GLU H H 100 7.433 8.774 -1.341 1
1 1355 . 2 1 1 A 101 101 GLU HA H 100 3.833 4.203 -0.370 1
1 1360 . 2 1 1 A 101 101 GLU C C 100 177.674 176.839 0.835 1
1 1361 . 2 1 1 A 101 101 GLU CA C 100 58.895 57.994 0.901 1
1 1362 . 2 1 1 A 101 101 GLU CB C 100 29.577 28.848 0.729 1
1 1364 . 2 1 1 A 101 101 GLU N N 100 114.383 118.042 -3.659 1
1 1365 . 2 1 1 A 102 102 SER H H 101 7.423 8.033 -0.610 1
1 1366 . 2 1 1 A 102 102 SER HA H 101 4.552 4.721 -0.169 1
1 1369 . 2 1 1 A 102 102 SER C C 101 176.554 174.739 1.815 1
1 1370 . 2 1 1 A 102 102 SER CA C 101 60.200 58.343 1.857 1
1 1371 . 2 1 1 A 102 102 SER CB C 101 64.828 64.279 0.549 1
1 1372 . 2 1 1 A 102 102 SER N N 101 108.722 115.256 -6.534 1
1 1373 . 2 1 1 A 103 103 GLU H H 102 8.488 7.754 0.734 1
1 1374 . 2 1 1 A 103 103 GLU HA H 102 4.752 4.503 0.249 1
1 1379 . 2 1 1 A 103 103 GLU C C 102 176.653 176.355 0.298 1
1 1380 . 2 1 1 A 103 103 GLU CA C 102 55.464 57.321 -1.857 1
1 1381 . 2 1 1 A 103 103 GLU CB C 102 30.611 32.256 -1.645 1
1 1383 . 2 1 1 A 103 103 GLU N N 102 116.116 118.660 -2.544 1
1 1384 . 2 1 1 A 104 104 ARG H H 103 7.511 7.690 -0.179 1
1 1385 . 2 1 1 A 104 104 ARG HA H 103 4.241 4.159 0.082 1
1 1392 . 2 1 1 A 104 104 ARG C C 103 174.634 175.558 -0.924 1
1 1393 . 2 1 1 A 104 104 ARG CA C 103 56.926 56.166 0.760 1
1 1394 . 2 1 1 A 104 104 ARG CB C 103 29.713 29.924 -0.211 1
1 1397 . 2 1 1 A 104 104 ARG N N 103 117.180 118.147 -0.967 1
1 1398 . 2 1 1 A 105 105 ASP H H 104 9.069 8.973 0.096 1
1 1399 . 2 1 1 A 105 105 ASP HA H 104 4.774 5.035 -0.261 1
1 1402 . 2 1 1 A 105 105 ASP C C 104 177.460 177.009 0.451 1
1 1403 . 2 1 1 A 105 105 ASP CA C 104 53.852 52.563 1.289 1
1 1404 . 2 1 1 A 105 105 ASP CB C 104 43.424 43.424 0.000 1
1 1405 . 2 1 1 A 105 105 ASP N N 104 123.349 122.400 0.949 1
1 1406 . 2 1 1 A 106 106 GLU H H 105 8.982 8.935 0.047 1
1 1407 . 2 1 1 A 106 106 GLU HA H 105 4.199 4.003 0.196 1
1 1412 . 2 1 1 A 106 106 GLU C C 105 177.398 178.078 -0.680 1
1 1413 . 2 1 1 A 106 106 GLU CA C 105 59.413 60.121 -0.708 1
1 1414 . 2 1 1 A 106 106 GLU CB C 105 29.983 29.610 0.373 1
1 1416 . 2 1 1 A 106 106 GLU N N 105 125.197 120.928 4.269 1
1 1417 . 2 1 1 A 107 107 ASP H H 106 9.873 7.959 1.914 1
1 1418 . 2 1 1 A 107 107 ASP HA H 106 4.211 4.218 -0.007 1
1 1421 . 2 1 1 A 107 107 ASP C C 106 175.775 176.737 -0.962 1
1 1422 . 2 1 1 A 107 107 ASP CA C 106 54.698 55.103 -0.405 1
1 1423 . 2 1 1 A 107 107 ASP CB C 106 40.187 41.032 -0.845 1
1 1424 . 2 1 1 A 107 107 ASP N N 106 118.717 116.976 1.741 1
1 1425 . 2 1 1 A 108 108 GLY H H 107 7.971 8.170 -0.199 1
1 1426 . 2 1 1 A 108 108 GLY HA2 H 107 3.431 3.904 -0.473 1
1 1427 . 2 1 1 A 108 108 GLY HA3 H 107 4.526 3.956 0.570 1
1 1428 . 2 1 1 A 108 108 GLY C C 107 175.138 174.357 0.781 1
1 1429 . 2 1 1 A 108 108 GLY CA C 107 45.029 45.553 -0.524 1
1 1430 . 2 1 1 A 108 108 GLY N N 107 105.017 108.643 -3.626 1
1 1431 . 2 1 1 A 109 109 PHE H H 108 9.799 7.661 2.138 1
1 1432 . 2 1 1 A 109 109 PHE HA H 108 4.607 4.737 -0.130 1
1 1440 . 2 1 1 A 109 109 PHE C C 108 175.171 174.917 0.254 1
1 1441 . 2 1 1 A 109 109 PHE CA C 108 60.222 56.666 3.556 1
1 1442 . 2 1 1 A 109 109 PHE CB C 108 40.433 41.536 -1.103 1
1 1446 . 2 1 1 A 109 109 PHE N N 108 123.309 119.241 4.068 1
1 1447 . 2 1 1 A 110 110 LEU H H 109 8.061 8.669 -0.608 1
1 1448 . 2 1 1 A 110 110 LEU HA H 109 5.022 4.380 0.642 1
1 1458 . 2 1 1 A 110 110 LEU C C 109 174.033 175.788 -1.755 1
1 1459 . 2 1 1 A 110 110 LEU CA C 109 53.539 54.814 -1.275 1
1 1460 . 2 1 1 A 110 110 LEU CB C 109 45.284 42.190 3.094 1
1 1464 . 2 1 1 A 110 110 LEU N N 109 119.999 125.396 -5.397 1
1 1465 . 2 1 1 A 111 111 TYR H H 110 9.363 9.259 0.104 1
1 1466 . 2 1 1 A 111 111 TYR HA H 110 4.906 5.065 -0.159 1
1 1473 . 2 1 1 A 111 111 TYR C C 110 176.538 174.917 1.621 1
1 1474 . 2 1 1 A 111 111 TYR CA C 110 59.335 56.558 2.777 1
1 1475 . 2 1 1 A 111 111 TYR CB C 110 39.485 40.105 -0.620 1
1 1478 . 2 1 1 A 111 111 TYR N N 110 126.322 122.807 3.515 1
1 1479 . 2 1 1 A 112 112 MET H H 111 9.496 8.684 0.812 1
1 1480 . 2 1 1 A 112 112 MET HA H 111 5.522 5.282 0.240 1
1 1488 . 2 1 1 A 112 112 MET C C 111 175.676 174.305 1.371 1
1 1489 . 2 1 1 A 112 112 MET CA C 111 54.216 54.529 -0.313 1
1 1490 . 2 1 1 A 112 112 MET CB C 111 36.821 36.950 -0.129 1
1 1493 . 2 1 1 A 112 112 MET N N 111 119.003 123.674 -4.671 1
1 1494 . 2 1 1 A 113 113 VAL H H 112 8.749 8.891 -0.142 1
1 1495 . 2 1 1 A 113 113 VAL HA H 112 5.967 4.832 1.135 1
1 1503 . 2 1 1 A 113 113 VAL C C 112 174.893 175.236 -0.343 1
1 1504 . 2 1 1 A 113 113 VAL CA C 112 58.896 61.395 -2.499 1
1 1505 . 2 1 1 A 113 113 VAL CB C 112 36.149 33.250 2.899 1
1 1508 . 2 1 1 A 113 113 VAL N N 112 119.658 122.830 -3.172 1
1 1509 . 2 1 1 A 114 114 TYR H H 113 8.210 8.935 -0.725 1
1 1510 . 2 1 1 A 114 114 TYR HA H 113 6.141 6.141 0.000 1
1 1517 . 2 1 1 A 114 114 TYR C C 113 173.353 173.839 -0.486 1
1 1518 . 2 1 1 A 114 114 TYR CA C 113 54.161 55.188 -1.027 1
1 1519 . 2 1 1 A 114 114 TYR CB C 113 43.538 42.448 1.090 1
1 1522 . 2 1 1 A 114 114 TYR N N 113 118.947 123.720 -4.773 1
1 1523 . 2 1 1 A 115 115 ALA H H 114 8.483 8.786 -0.303 1
1 1524 . 2 1 1 A 115 115 ALA HA H 114 4.762 4.650 0.112 1
1 1528 . 2 1 1 A 115 115 ALA C C 114 176.033 177.359 -1.326 1
1 1529 . 2 1 1 A 115 115 ALA CA C 114 51.223 51.245 -0.022 1
1 1530 . 2 1 1 A 115 115 ALA CB C 114 24.521 22.758 1.763 1
1 1531 . 2 1 1 A 115 115 ALA N N 114 119.557 121.941 -2.384 1
1 1532 . 2 1 1 A 116 116 SER H H 115 9.835 8.656 1.179 1
1 1533 . 2 1 1 A 116 116 SER HA H 115 4.497 5.121 -0.624 1
1 1536 . 2 1 1 A 116 116 SER C C 115 172.664 173.863 -1.199 1
1 1537 . 2 1 1 A 116 116 SER CA C 115 58.669 58.147 0.522 1
1 1538 . 2 1 1 A 116 116 SER CB C 115 63.570 63.856 -0.286 1
1 1539 . 2 1 1 A 116 116 SER N N 115 114.435 114.266 0.169 1
1 1540 . 2 1 1 A 117 117 GLN H H 116 7.180 7.579 -0.399 1
1 1541 . 2 1 1 A 117 117 GLN HA H 116 4.460 4.964 -0.504 1
1 1548 . 2 1 1 A 117 117 GLN C C 116 172.901 175.116 -2.215 1
1 1549 . 2 1 1 A 117 117 GLN CA C 116 53.974 55.371 -1.397 1
1 1550 . 2 1 1 A 117 117 GLN CB C 116 32.192 32.416 -0.224 1
1 1553 . 2 1 1 A 117 117 GLN N N 116 116.449 120.635 -4.186 1
1 1555 . 2 1 1 A 118 118 GLU H H 117 7.878 8.699 -0.821 1
1 1556 . 2 1 1 A 118 118 GLU HA H 117 3.259 4.647 -1.388 1
1 1561 . 2 1 1 A 118 118 GLU C C 117 175.233 176.801 -1.568 1
1 1562 . 2 1 1 A 118 118 GLU CA C 117 56.890 56.142 0.748 1
1 1563 . 2 1 1 A 118 118 GLU CB C 117 30.325 30.384 -0.059 1
1 1565 . 2 1 1 A 118 118 GLU N N 117 117.687 123.398 -5.711 1
1 1566 . 2 1 1 A 119 119 THR H H 118 6.968 7.606 -0.638 1
1 1567 . 2 1 1 A 119 119 THR HA H 118 4.082 4.512 -0.430 1
1 1572 . 2 1 1 A 119 119 THR C C 118 173.134 174.703 -1.569 1
1 1573 . 2 1 1 A 119 119 THR CA C 118 60.123 59.761 0.362 1
1 1574 . 2 1 1 A 119 119 THR CB C 118 70.147 68.479 1.668 1
1 1576 . 2 1 1 A 119 119 THR N N 118 109.548 108.231 1.317 1
1 1577 . 2 1 1 A 120 120 PHE H H 119 8.138 7.643 0.495 1
1 1578 . 2 1 1 A 120 120 PHE HA H 119 4.436 4.390 0.046 1
1 1586 . 2 1 1 A 120 120 PHE C C 119 174.902 177.092 -2.190 1
1 1587 . 2 1 1 A 120 120 PHE CA C 119 56.750 57.655 -0.905 1
1 1588 . 2 1 1 A 120 120 PHE CB C 119 39.411 39.060 0.351 1
1 1592 . 2 1 1 A 120 120 PHE N N 119 121.777 121.275 0.502 1
1 1607 . 2 2 2 B 2 2 SER H H 332 8.471 8.541 -0.070 1
1 1608 . 2 2 2 B 2 2 SER HA H 332 4.484 4.879 -0.395 1
1 1611 . 2 2 2 B 2 2 SER C C 332 174.962 173.449 1.513 1
1 1612 . 2 2 2 B 2 2 SER CA C 332 88.436 57.032 31.404 1
1 1613 . 2 2 2 B 2 2 SER CB C 332 93.927 65.910 28.017 1
1 1614 . 2 2 2 B 2 2 SER N N 332 147.261 113.369 33.892 1
1 1615 . 2 2 2 B 3 3 GLY H H 333 8.601 8.566 0.035 1
1 1616 . 2 2 2 B 3 3 GLY HA2 H 333 4.022 4.053 -0.031 1
1 1617 . 2 2 2 B 3 3 GLY HA3 H 333 4.022 4.055 -0.033 1
1 1618 . 2 2 2 B 3 3 GLY C C 333 174.774 173.711 1.063 1
1 1619 . 2 2 2 B 3 3 GLY CA C 333 75.465 45.095 30.370 1
1 1620 . 2 2 2 B 3 3 GLY N N 333 141.077 109.880 31.197 1
1 1621 . 2 2 2 B 4 4 GLY H H 334 8.372 7.856 0.516 1
1 1622 . 2 2 2 B 4 4 GLY HA2 H 334 3.980 4.270 -0.290 1
1 1623 . 2 2 2 B 4 4 GLY HA3 H 334 3.980 4.273 -0.293 1
1 1624 . 2 2 2 B 4 4 GLY C C 334 174.758 172.795 1.963 1
1 1625 . 2 2 2 B 4 4 GLY CA C 334 75.674 44.933 30.741 1
1 1626 . 2 2 2 B 4 4 GLY N N 334 138.894 107.511 31.383 1
1 1627 . 2 2 2 B 5 5 ASP H H 335 8.429 8.997 -0.568 1
1 1628 . 2 2 2 B 5 5 ASP HA H 335 4.610 5.105 -0.495 1
1 1631 . 2 2 2 B 5 5 ASP CA C 335 85.066 53.210 31.856 1
1 1632 . 2 2 2 B 5 5 ASP CB C 335 71.191 40.775 30.416 1
1 1633 . 2 2 2 B 5 5 ASP N N 335 149.637 121.524 28.113 1
1 1634 . 2 2 2 B 6 6 ASP H H 336 8.244 8.653 -0.409 1
1 1635 . 2 2 2 B 6 6 ASP HA H 336 4.559 4.742 -0.183 1
1 1638 . 2 2 2 B 6 6 ASP C C 336 175.432 175.997 -0.565 1
1 1639 . 2 2 2 B 6 6 ASP CA C 336 84.708 56.149 28.559 1
1 1640 . 2 2 2 B 6 6 ASP CB C 336 71.552 41.835 29.717 1
1 1641 . 2 2 2 B 6 6 ASP N N 336 148.885 122.719 26.166 1
1 1642 . 2 2 2 B 7 7 ASP H H 337 7.803 7.943 -0.140 1
1 1643 . 2 2 2 B 7 7 ASP HA H 337 4.655 5.099 -0.444 1
1 1646 . 2 2 2 B 7 7 ASP C C 337 175.362 174.995 0.367 1
1 1647 . 2 2 2 B 7 7 ASP CA C 337 83.670 52.575 31.095 1
1 1648 . 2 2 2 B 7 7 ASP CB C 337 71.933 43.429 28.504 1
1 1649 . 2 2 2 B 7 7 ASP N N 337 149.563 114.408 35.155 1
1 1650 . 2 2 2 B 8 8 TRP H H 338 8.472 8.550 -0.078 1
1 1651 . 2 2 2 B 8 8 TRP HA H 338 4.174 4.900 -0.726 1
1 1660 . 2 2 2 B 8 8 TRP C C 338 175.959 176.312 -0.353 1
1 1661 . 2 2 2 B 8 8 TRP CA C 338 87.020 57.282 29.738 1
1 1662 . 2 2 2 B 8 8 TRP CB C 338 61.223 29.988 31.235 1
1 1668 . 2 2 2 B 8 8 TRP N N 338 150.172 123.871 26.301 1
1 1670 . 2 2 2 B 9 9 THR H H 339 7.994 8.524 -0.530 1
1 1671 . 2 2 2 B 9 9 THR HA H 339 4.533 4.666 -0.133 1
1 1676 . 2 2 2 B 9 9 THR C C 339 174.035 174.043 -0.008 1
1 1677 . 2 2 2 B 9 9 THR CA C 339 92.659 60.952 31.707 1
1 1678 . 2 2 2 B 9 9 THR CB C 339 99.436 70.812 28.624 1
1 1680 . 2 2 2 B 9 9 THR N N 339 149.503 115.200 34.303 1
1 1681 . 2 2 2 B 10 10 HIS H H 340 9.463 8.129 1.334 1
1 1682 . 2 2 2 B 10 10 HIS HA H 340 4.677 5.662 -0.985 1
1 1687 . 2 2 2 B 10 10 HIS C C 340 175.606 174.323 1.283 1
1 1688 . 2 2 2 B 10 10 HIS CA C 340 87.024 53.707 33.317 1
1 1689 . 2 2 2 B 10 10 HIS CB C 340 61.368 32.057 29.311 1
1 1692 . 2 2 2 B 10 10 HIS N N 340 159.135 119.045 40.090 1
1 1693 . 2 2 2 B 11 11 LEU H H 341 8.398 9.047 -0.649 1
1 1694 . 2 2 2 B 11 11 LEU HA H 341 4.848 5.008 -0.160 1
1 1704 . 2 2 2 B 11 11 LEU C C 341 175.919 175.605 0.314 1
1 1705 . 2 2 2 B 11 11 LEU CA C 341 83.684 53.690 29.994 1
1 1706 . 2 2 2 B 11 11 LEU CB C 341 73.601 42.920 30.681 1
1 1710 . 2 2 2 B 11 11 LEU N N 341 153.300 124.707 28.593 1
1 1711 . 2 2 2 B 12 12 SER H H 342 8.382 8.920 -0.538 1
1 1712 . 2 2 2 B 12 12 SER HA H 342 4.652 5.075 -0.423 1
1 1715 . 2 2 2 B 12 12 SER C C 342 174.263 175.125 -0.862 1
1 1716 . 2 2 2 B 12 12 SER CA C 342 86.841 57.680 29.161 1
1 1717 . 2 2 2 B 12 12 SER CB C 342 95.113 64.535 30.578 1
1 1718 . 2 2 2 B 12 12 SER N N 342 144.018 122.798 21.220 1
1 1719 . 2 2 2 B 13 13 SER H H 343 8.937 9.038 -0.101 1
1 1720 . 2 2 2 B 13 13 SER HA H 343 4.291 4.469 -0.178 1
1 1723 . 2 2 2 B 13 13 SER C C 343 174.652 175.050 -0.398 1
1 1724 . 2 2 2 B 13 13 SER CA C 343 89.546 60.143 29.403 1
1 1725 . 2 2 2 B 13 13 SER CB C 343 93.470 63.302 30.168 1
1 1726 . 2 2 2 B 13 13 SER N N 343 148.575 118.668 29.907 1
1 1727 . 2 2 2 B 14 14 LYS H H 344 8.250 8.270 -0.020 1
1 1728 . 2 2 2 B 14 14 LYS HA H 344 4.319 4.220 0.099 1
1 1737 . 2 2 2 B 14 14 LYS C C 344 176.699 177.620 -0.921 1
1 1738 . 2 2 2 B 14 14 LYS CA C 344 86.716 58.686 28.030 1
1 1739 . 2 2 2 B 14 14 LYS CB C 344 62.831 33.286 29.545 1
1 1743 . 2 2 2 B 14 14 LYS N N 344 151.908 121.354 30.554 1
1 1744 . 2 2 2 B 15 15 GLU H H 345 8.256 7.801 0.455 1
1 1745 . 2 2 2 B 15 15 GLU HA H 345 4.240 4.365 -0.125 1
1 1750 . 2 2 2 B 15 15 GLU C C 345 176.152 176.224 -0.072 1
1 1751 . 2 2 2 B 15 15 GLU CA C 345 87.152 56.722 30.430 1
1 1752 . 2 2 2 B 15 15 GLU CB C 345 60.176 30.039 30.137 1
1 1754 . 2 2 2 B 15 15 GLU N N 345 150.679 118.089 32.590 1
1 1755 . 2 2 2 B 16 16 VAL H H 346 7.762 7.325 0.437 1
1 1756 . 2 2 2 B 16 16 VAL HA H 346 4.161 4.177 -0.016 1
1 1764 . 2 2 2 B 16 16 VAL C C 346 174.646 175.926 -1.280 1
1 1765 . 2 2 2 B 16 16 VAL CA C 346 91.707 60.987 30.720 1
1 1766 . 2 2 2 B 16 16 VAL CB C 346 63.107 33.835 29.272 1
1 1769 . 2 2 2 B 16 16 VAL N N 346 146.718 117.227 29.491 1
1 9 . 3 1 1 A 2 2 MET H H 1 8.414 7.948 0.466 1
1 10 . 3 1 1 A 2 2 MET HA H 1 4.826 4.930 -0.104 1
1 18 . 3 1 1 A 2 2 MET CA C 1 53.382 52.410 0.972 1
1 19 . 3 1 1 A 2 2 MET CB C 1 32.478 32.844 -0.366 1
1 22 . 3 1 1 A 2 2 MET N N 1 122.882 117.746 5.136 1
1 23 . 3 1 1 A 3 3 PRO HA H 2 4.425 4.507 -0.082 1
1 30 . 3 1 1 A 3 3 PRO C C 2 176.847 176.604 0.243 1
1 31 . 3 1 1 A 3 3 PRO CA C 2 63.386 64.609 -1.223 1
1 32 . 3 1 1 A 3 3 PRO CB C 2 32.077 32.152 -0.075 1
1 35 . 3 1 1 A 4 4 SER H H 3 8.347 7.577 0.770 1
1 36 . 3 1 1 A 4 4 SER HA H 3 4.391 4.684 -0.293 1
1 39 . 3 1 1 A 4 4 SER C C 3 174.643 171.815 2.828 1
1 40 . 3 1 1 A 4 4 SER CA C 3 58.336 57.513 0.823 1
1 41 . 3 1 1 A 4 4 SER CB C 3 63.798 65.309 -1.511 1
1 42 . 3 1 1 A 4 4 SER N N 3 115.234 112.019 3.215 1
1 43 . 3 1 1 A 5 5 GLU H H 4 8.472 8.937 -0.465 1
1 44 . 3 1 1 A 5 5 GLU HA H 4 4.297 5.106 -0.809 1
1 49 . 3 1 1 A 5 5 GLU C C 4 176.352 175.565 0.787 1
1 50 . 3 1 1 A 5 5 GLU CA C 4 56.572 54.450 2.122 1
1 51 . 3 1 1 A 5 5 GLU CB C 4 30.285 32.887 -2.602 1
1 53 . 3 1 1 A 5 5 GLU N N 4 123.045 126.673 -3.628 1
1 54 . 3 1 1 A 6 6 LYS H H 5 8.214 8.321 -0.107 1
1 55 . 3 1 1 A 6 6 LYS HA H 5 4.500 4.336 0.164 1
1 64 . 3 1 1 A 6 6 LYS C C 5 177.243 175.731 1.512 1
1 65 . 3 1 1 A 6 6 LYS CA C 5 55.943 56.562 -0.619 1
1 66 . 3 1 1 A 6 6 LYS CB C 5 34.621 33.529 1.092 1
1 70 . 3 1 1 A 6 6 LYS N N 5 121.467 126.183 -4.716 1
1 71 . 3 1 1 A 7 7 THR H H 6 8.431 8.196 0.235 1
1 72 . 3 1 1 A 7 7 THR HA H 6 4.383 4.809 -0.426 1
1 77 . 3 1 1 A 7 7 THR C C 6 175.360 175.452 -0.092 1
1 78 . 3 1 1 A 7 7 THR CA C 6 61.124 58.878 2.246 1
1 79 . 3 1 1 A 7 7 THR CB C 6 69.863 70.842 -0.979 1
1 81 . 3 1 1 A 7 7 THR N N 6 114.691 114.389 0.302 1
1 82 . 3 1 1 A 8 8 PHE H H 7 10.194 9.439 0.755 1
1 83 . 3 1 1 A 8 8 PHE HA H 7 3.904 4.262 -0.358 1
1 88 . 3 1 1 A 8 8 PHE C C 7 177.000 177.695 -0.695 1
1 89 . 3 1 1 A 8 8 PHE CA C 7 63.388 60.615 2.773 1
1 90 . 3 1 1 A 8 8 PHE CB C 7 39.586 38.827 0.759 1
1 92 . 3 1 1 A 8 8 PHE N N 7 124.861 127.729 -2.868 1
1 93 . 3 1 1 A 9 9 LYS H H 8 8.707 8.340 0.367 1
1 94 . 3 1 1 A 9 9 LYS HA H 8 3.761 4.167 -0.406 1
1 103 . 3 1 1 A 9 9 LYS C C 8 177.496 178.767 -1.271 1
1 104 . 3 1 1 A 9 9 LYS CA C 8 59.945 59.081 0.864 1
1 105 . 3 1 1 A 9 9 LYS CB C 8 33.870 32.081 1.789 1
1 109 . 3 1 1 A 9 9 LYS N N 8 114.189 117.295 -3.106 1
1 110 . 3 1 1 A 10 10 GLN H H 9 7.284 8.303 -1.019 1
1 111 . 3 1 1 A 10 10 GLN HA H 9 4.113 4.254 -0.141 1
1 118 . 3 1 1 A 10 10 GLN C C 9 177.416 178.312 -0.896 1
1 119 . 3 1 1 A 10 10 GLN CA C 9 56.743 57.975 -1.232 1
1 120 . 3 1 1 A 10 10 GLN CB C 9 30.002 29.117 0.885 1
1 123 . 3 1 1 A 10 10 GLN N N 9 112.843 119.058 -6.215 1
1 125 . 3 1 1 A 11 11 ARG H H 10 7.889 8.534 -0.645 1
1 126 . 3 1 1 A 11 11 ARG HA H 10 4.255 3.977 0.278 1
1 133 . 3 1 1 A 11 11 ARG C C 10 175.059 176.969 -1.910 1
1 134 . 3 1 1 A 11 11 ARG CA C 10 57.018 59.635 -2.617 1
1 135 . 3 1 1 A 11 11 ARG CB C 10 31.628 30.291 1.337 1
1 138 . 3 1 1 A 11 11 ARG N N 10 117.567 120.913 -3.346 1
1 139 . 3 1 1 A 12 12 ARG H H 11 7.443 8.001 -0.558 1
1 140 . 3 1 1 A 12 12 ARG HA H 11 4.493 4.346 0.147 1
1 147 . 3 1 1 A 12 12 ARG CA C 11 54.172 56.635 -2.463 1
1 148 . 3 1 1 A 12 12 ARG CB C 11 32.857 30.753 2.104 1
1 151 . 3 1 1 A 12 12 ARG N N 11 122.786 120.672 2.114 1
1 152 . 3 1 1 A 13 13 SER HA H 12 4.403 4.479 -0.076 1
1 155 . 3 1 1 A 13 13 SER C C 12 174.222 175.655 -1.433 1
1 156 . 3 1 1 A 13 13 SER CA C 12 58.274 58.512 -0.238 1
1 157 . 3 1 1 A 13 13 SER CB C 12 64.821 64.145 0.676 1
1 158 . 3 1 1 A 14 14 PHE H H 13 9.239 9.281 -0.042 1
1 159 . 3 1 1 A 14 14 PHE HA H 13 4.035 4.175 -0.140 1
1 165 . 3 1 1 A 14 14 PHE C C 13 176.023 177.095 -1.072 1
1 166 . 3 1 1 A 14 14 PHE CA C 13 62.790 62.449 0.341 1
1 167 . 3 1 1 A 14 14 PHE CB C 13 39.580 39.935 -0.355 1
1 169 . 3 1 1 A 14 14 PHE N N 13 123.729 128.984 -5.255 1
1 170 . 3 1 1 A 15 15 GLU H H 14 9.093 8.499 0.594 1
1 171 . 3 1 1 A 15 15 GLU HA H 14 3.813 3.829 -0.016 1
1 176 . 3 1 1 A 15 15 GLU C C 14 179.549 179.508 0.041 1
1 177 . 3 1 1 A 15 15 GLU CA C 14 60.444 60.107 0.337 1
1 178 . 3 1 1 A 15 15 GLU CB C 14 28.804 29.205 -0.401 1
1 180 . 3 1 1 A 15 15 GLU N N 14 115.336 117.534 -2.198 1
1 181 . 3 1 1 A 16 16 GLN H H 15 7.752 8.066 -0.314 1
1 182 . 3 1 1 A 16 16 GLN HA H 15 4.044 4.142 -0.098 1
1 189 . 3 1 1 A 16 16 GLN C C 15 177.931 178.395 -0.464 1
1 190 . 3 1 1 A 16 16 GLN CA C 15 58.486 58.764 -0.278 1
1 191 . 3 1 1 A 16 16 GLN CB C 15 29.393 28.321 1.072 1
1 194 . 3 1 1 A 16 16 GLN N N 15 119.145 119.126 0.019 1
1 196 . 3 1 1 A 17 17 ARG H H 16 8.577 8.101 0.476 1
1 197 . 3 1 1 A 17 17 ARG HA H 16 4.280 4.233 0.047 1
1 202 . 3 1 1 A 17 17 ARG C C 16 177.128 178.673 -1.545 1
1 203 . 3 1 1 A 17 17 ARG CA C 16 61.442 58.946 2.496 1
1 204 . 3 1 1 A 17 17 ARG N N 16 121.288 120.692 0.596 1
1 205 . 3 1 1 A 18 18 VAL H H 17 8.329 8.316 0.013 1
1 206 . 3 1 1 A 18 18 VAL HA H 17 3.938 3.661 0.277 1
1 214 . 3 1 1 A 18 18 VAL C C 17 179.744 178.607 1.137 1
1 215 . 3 1 1 A 18 18 VAL CA C 17 65.441 65.985 -0.544 1
1 216 . 3 1 1 A 18 18 VAL CB C 17 32.080 31.540 0.540 1
1 219 . 3 1 1 A 18 18 VAL N N 17 116.752 119.767 -3.015 1
1 220 . 3 1 1 A 19 19 GLU H H 18 7.445 7.755 -0.310 1
1 221 . 3 1 1 A 19 19 GLU HA H 18 4.270 4.011 0.259 1
1 226 . 3 1 1 A 19 19 GLU C C 18 177.625 178.215 -0.590 1
1 227 . 3 1 1 A 19 19 GLU CA C 18 58.637 58.839 -0.202 1
1 228 . 3 1 1 A 19 19 GLU CB C 18 29.398 29.404 -0.006 1
1 230 . 3 1 1 A 19 19 GLU N N 18 120.323 120.263 0.060 1
1 231 . 3 1 1 A 20 20 ASP H H 19 8.690 8.192 0.498 1
1 232 . 3 1 1 A 20 20 ASP HA H 19 4.514 4.429 0.085 1
1 235 . 3 1 1 A 20 20 ASP C C 19 179.877 178.029 1.848 1
1 236 . 3 1 1 A 20 20 ASP CA C 19 57.224 56.796 0.428 1
1 237 . 3 1 1 A 20 20 ASP CB C 19 41.487 41.896 -0.409 1
1 238 . 3 1 1 A 20 20 ASP N N 19 120.313 120.819 -0.506 1
1 239 . 3 1 1 A 21 21 VAL H H 20 7.731 7.825 -0.094 1
1 240 . 3 1 1 A 21 21 VAL HA H 20 3.394 3.526 -0.132 1
1 248 . 3 1 1 A 21 21 VAL C C 20 176.989 177.540 -0.551 1
1 249 . 3 1 1 A 21 21 VAL CA C 20 65.989 65.802 0.187 1
1 250 . 3 1 1 A 21 21 VAL CB C 20 31.291 31.773 -0.482 1
1 253 . 3 1 1 A 21 21 VAL N N 20 119.119 119.012 0.107 1
1 254 . 3 1 1 A 22 22 ARG H H 21 8.313 7.858 0.455 1
1 255 . 3 1 1 A 22 22 ARG HA H 21 3.825 3.959 -0.134 1
1 263 . 3 1 1 A 22 22 ARG C C 21 180.178 178.643 1.535 1
1 264 . 3 1 1 A 22 22 ARG CA C 21 59.821 59.310 0.511 1
1 265 . 3 1 1 A 22 22 ARG CB C 21 30.164 29.963 0.201 1
1 269 . 3 1 1 A 22 22 ARG N N 21 120.772 120.470 0.302 1
1 271 . 3 1 1 A 23 23 LEU H H 22 8.306 7.470 0.836 1
1 272 . 3 1 1 A 23 23 LEU HA H 22 4.076 3.925 0.151 1
1 282 . 3 1 1 A 23 23 LEU C C 22 180.221 179.156 1.065 1
1 283 . 3 1 1 A 23 23 LEU CA C 22 57.541 58.142 -0.601 1
1 284 . 3 1 1 A 23 23 LEU CB C 22 42.300 41.626 0.674 1
1 288 . 3 1 1 A 23 23 LEU N N 22 116.413 119.233 -2.820 1
1 289 . 3 1 1 A 24 24 ILE H H 23 7.864 8.159 -0.295 1
1 290 . 3 1 1 A 24 24 ILE HA H 23 4.090 3.874 0.216 1
1 300 . 3 1 1 A 24 24 ILE C C 23 177.922 178.435 -0.513 1
1 301 . 3 1 1 A 24 24 ILE CA C 23 60.190 64.429 -4.239 1
1 302 . 3 1 1 A 24 24 ILE CB C 23 38.072 37.458 0.614 1
1 306 . 3 1 1 A 24 24 ILE N N 23 121.259 118.658 2.601 1
1 307 . 3 1 1 A 25 25 ARG H H 24 8.339 8.116 0.223 1
1 308 . 3 1 1 A 25 25 ARG HA H 24 3.973 4.043 -0.070 1
1 316 . 3 1 1 A 25 25 ARG C C 24 178.479 178.014 0.465 1
1 317 . 3 1 1 A 25 25 ARG CA C 24 57.337 59.341 -2.004 1
1 318 . 3 1 1 A 25 25 ARG CB C 24 28.663 30.212 -1.549 1
1 322 . 3 1 1 A 25 25 ARG N N 24 121.816 121.655 0.161 1
1 324 . 3 1 1 A 26 26 GLU H H 25 7.133 8.457 -1.324 1
1 325 . 3 1 1 A 26 26 GLU HA H 25 4.052 4.157 -0.105 1
1 330 . 3 1 1 A 26 26 GLU C C 25 178.158 176.494 1.664 1
1 331 . 3 1 1 A 26 26 GLU CA C 25 58.367 57.492 0.875 1
1 332 . 3 1 1 A 26 26 GLU CB C 25 29.903 29.578 0.325 1
1 334 . 3 1 1 A 26 26 GLU N N 25 116.794 117.888 -1.094 1
1 335 . 3 1 1 A 27 27 GLN H H 26 7.283 8.085 -0.802 1
1 336 . 3 1 1 A 27 27 GLN HA H 26 3.888 4.343 -0.455 1
1 343 . 3 1 1 A 27 27 GLN C C 26 176.088 175.845 0.243 1
1 344 . 3 1 1 A 27 27 GLN CA C 26 57.676 57.048 0.628 1
1 345 . 3 1 1 A 27 27 GLN CB C 26 30.382 31.278 -0.896 1
1 348 . 3 1 1 A 27 27 GLN N N 26 116.373 117.547 -1.174 1
1 350 . 3 1 1 A 28 28 HIS H H 27 8.223 8.560 -0.337 1
1 351 . 3 1 1 A 28 28 HIS HA H 27 4.941 5.047 -0.106 1
1 356 . 3 1 1 A 28 28 HIS CA C 27 53.278 53.147 0.131 1
1 357 . 3 1 1 A 28 28 HIS CB C 27 30.933 29.764 1.169 1
1 360 . 3 1 1 A 28 28 HIS N N 27 115.408 116.321 -0.913 1
1 361 . 3 1 1 A 29 29 PRO HA H 28 4.562 4.348 0.214 1
1 368 . 3 1 1 A 29 29 PRO C C 28 178.046 177.544 0.502 1
1 369 . 3 1 1 A 29 29 PRO CA C 28 64.821 64.582 0.239 1
1 370 . 3 1 1 A 29 29 PRO CB C 28 32.447 32.011 0.436 1
1 373 . 3 1 1 A 30 30 THR H H 29 7.820 7.783 0.037 1
1 374 . 3 1 1 A 30 30 THR HA H 29 4.583 4.341 0.242 1
1 379 . 3 1 1 A 30 30 THR C C 29 172.723 173.337 -0.614 1
1 380 . 3 1 1 A 30 30 THR CA C 29 60.826 61.475 -0.649 1
1 381 . 3 1 1 A 30 30 THR CB C 29 68.641 68.761 -0.120 1
1 383 . 3 1 1 A 30 30 THR N N 29 106.682 107.808 -1.126 1
1 384 . 3 1 1 A 31 31 LYS H H 30 7.453 7.535 -0.082 1
1 385 . 3 1 1 A 31 31 LYS HA H 30 4.850 5.086 -0.236 1
1 394 . 3 1 1 A 31 31 LYS C C 30 174.296 174.708 -0.412 1
1 395 . 3 1 1 A 31 31 LYS CA C 30 53.944 54.687 -0.743 1
1 396 . 3 1 1 A 31 31 LYS CB C 30 36.098 36.812 -0.714 1
1 400 . 3 1 1 A 31 31 LYS N N 30 117.809 120.510 -2.701 1
1 401 . 3 1 1 A 32 32 ILE H H 31 9.265 9.436 -0.171 1
1 402 . 3 1 1 A 32 32 ILE HA H 31 4.106 4.284 -0.178 1
1 412 . 3 1 1 A 32 32 ILE CA C 31 54.606 57.604 -2.998 1
1 413 . 3 1 1 A 32 32 ILE CB C 31 38.448 38.686 -0.238 1
1 417 . 3 1 1 A 32 32 ILE N N 31 122.497 122.958 -0.461 1
1 418 . 3 1 1 A 33 33 PRO HA H 32 5.252 4.912 0.340 1
1 425 . 3 1 1 A 33 33 PRO C C 32 174.652 176.789 -2.137 1
1 426 . 3 1 1 A 33 33 PRO CA C 32 61.704 62.571 -0.867 1
1 427 . 3 1 1 A 33 33 PRO CB C 32 31.873 31.584 0.289 1
1 430 . 3 1 1 A 34 34 VAL H H 33 9.359 8.740 0.619 1
1 431 . 3 1 1 A 34 34 VAL HA H 33 5.298 5.181 0.117 1
1 439 . 3 1 1 A 34 34 VAL C C 33 173.633 174.690 -1.057 1
1 440 . 3 1 1 A 34 34 VAL CA C 33 59.830 59.324 0.506 1
1 441 . 3 1 1 A 34 34 VAL CB C 33 36.154 36.157 -0.003 1
1 444 . 3 1 1 A 34 34 VAL N N 33 124.496 116.665 7.831 1
1 445 . 3 1 1 A 35 35 ILE H H 34 8.667 9.193 -0.526 1
1 446 . 3 1 1 A 35 35 ILE HA H 34 4.867 4.872 -0.005 1
1 456 . 3 1 1 A 35 35 ILE C C 34 175.770 174.964 0.806 1
1 457 . 3 1 1 A 35 35 ILE CA C 34 56.320 60.106 -3.786 1
1 458 . 3 1 1 A 35 35 ILE CB C 34 36.909 39.119 -2.210 1
1 462 . 3 1 1 A 35 35 ILE N N 34 127.447 122.645 4.802 1
1 463 . 3 1 1 A 36 36 ILE H H 35 8.422 9.015 -0.593 1
1 464 . 3 1 1 A 36 36 ILE HA H 35 4.890 4.689 0.201 1
1 474 . 3 1 1 A 36 36 ILE C C 35 175.098 175.863 -0.765 1
1 475 . 3 1 1 A 36 36 ILE CA C 35 60.806 60.946 -0.140 1
1 476 . 3 1 1 A 36 36 ILE CB C 35 39.357 37.433 1.924 1
1 480 . 3 1 1 A 36 36 ILE N N 35 124.267 128.966 -4.699 1
1 481 . 3 1 1 A 37 37 GLU H H 36 8.335 8.867 -0.532 1
1 482 . 3 1 1 A 37 37 GLU HA H 36 4.820 4.848 -0.028 1
1 487 . 3 1 1 A 37 37 GLU C C 36 173.502 175.773 -2.271 1
1 488 . 3 1 1 A 37 37 GLU CA C 36 54.214 54.205 0.009 1
1 489 . 3 1 1 A 37 37 GLU CB C 36 35.547 33.201 2.346 1
1 491 . 3 1 1 A 37 37 GLU N N 36 123.296 126.336 -3.040 1
1 492 . 3 1 1 A 38 38 ARG H H 37 8.891 8.172 0.719 1
1 493 . 3 1 1 A 38 38 ARG HA H 37 2.755 3.490 -0.735 1
1 501 . 3 1 1 A 38 38 ARG C C 37 176.165 175.403 0.762 1
1 502 . 3 1 1 A 38 38 ARG CA C 37 56.235 55.999 0.236 1
1 503 . 3 1 1 A 38 38 ARG CB C 37 31.328 30.212 1.116 1
1 507 . 3 1 1 A 38 38 ARG N N 37 123.143 121.888 1.255 1
1 509 . 3 1 1 A 39 39 TYR H H 38 8.681 7.975 0.706 1
1 510 . 3 1 1 A 39 39 TYR HA H 38 4.331 4.438 -0.107 1
1 517 . 3 1 1 A 39 39 TYR C C 38 177.064 175.205 1.859 1
1 518 . 3 1 1 A 39 39 TYR CA C 38 57.769 58.803 -1.034 1
1 519 . 3 1 1 A 39 39 TYR CB C 38 39.552 39.021 0.531 1
1 522 . 3 1 1 A 39 39 TYR N N 38 128.699 122.945 5.754 1
1 523 . 3 1 1 A 40 40 LYS H H 39 8.454 7.902 0.552 1
1 524 . 3 1 1 A 40 40 LYS HA H 39 3.841 3.918 -0.077 1
1 533 . 3 1 1 A 40 40 LYS C C 39 176.290 176.599 -0.309 1
1 534 . 3 1 1 A 40 40 LYS CA C 39 58.772 56.652 2.120 1
1 535 . 3 1 1 A 40 40 LYS CB C 39 31.738 31.545 0.193 1
1 539 . 3 1 1 A 40 40 LYS N N 39 130.022 123.494 6.528 1
1 540 . 3 1 1 A 41 41 GLY H H 40 5.457 8.961 -3.504 1
1 541 . 3 1 1 A 41 41 GLY HA2 H 40 3.306 3.979 -0.673 1
1 542 . 3 1 1 A 41 41 GLY HA3 H 40 3.999 4.039 -0.040 1
1 543 . 3 1 1 A 41 41 GLY C C 40 173.426 174.105 -0.679 1
1 544 . 3 1 1 A 41 41 GLY CA C 40 44.673 45.477 -0.804 1
1 545 . 3 1 1 A 41 41 GLY N N 40 104.628 113.000 -8.372 1
1 546 . 3 1 1 A 42 42 GLU H H 41 7.440 8.296 -0.856 1
1 547 . 3 1 1 A 42 42 GLU HA H 41 4.278 4.649 -0.371 1
1 552 . 3 1 1 A 42 42 GLU C C 41 176.306 176.364 -0.058 1
1 553 . 3 1 1 A 42 42 GLU CA C 41 56.358 55.521 0.837 1
1 554 . 3 1 1 A 42 42 GLU CB C 41 31.014 30.469 0.545 1
1 556 . 3 1 1 A 42 42 GLU N N 41 122.648 120.651 1.997 1
1 557 . 3 1 1 A 43 43 LYS H H 42 8.912 8.428 0.484 1
1 558 . 3 1 1 A 43 43 LYS HA H 42 4.680 4.588 0.092 1
1 567 . 3 1 1 A 43 43 LYS C C 42 177.063 178.248 -1.185 1
1 568 . 3 1 1 A 43 43 LYS CA C 42 55.652 56.756 -1.104 1
1 569 . 3 1 1 A 43 43 LYS CB C 42 34.871 34.106 0.765 1
1 573 . 3 1 1 A 43 43 LYS N N 42 123.569 123.260 0.309 1
1 574 . 3 1 1 A 44 44 GLN H H 43 8.446 8.076 0.370 1
1 575 . 3 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1
1 582 . 3 1 1 A 44 44 GLN C C 43 177.152 177.012 0.140 1
1 583 . 3 1 1 A 44 44 GLN CA C 43 57.561 59.126 -1.565 1
1 584 . 3 1 1 A 44 44 GLN CB C 43 30.671 28.675 1.996 1
1 587 . 3 1 1 A 44 44 GLN N N 43 118.990 118.703 0.287 1
1 589 . 3 1 1 A 45 45 LEU H H 44 9.043 8.054 0.989 1
1 590 . 3 1 1 A 45 45 LEU HA H 44 4.716 4.482 0.234 1
1 600 . 3 1 1 A 45 45 LEU CA C 44 53.078 53.880 -0.802 1
1 601 . 3 1 1 A 45 45 LEU CB C 44 43.614 41.165 2.449 1
1 605 . 3 1 1 A 45 45 LEU N N 44 120.375 120.175 0.200 1
1 606 . 3 1 1 A 46 46 PRO HA H 45 4.723 4.654 0.069 1
1 613 . 3 1 1 A 46 46 PRO C C 45 175.883 176.058 -0.175 1
1 614 . 3 1 1 A 46 46 PRO CA C 45 62.005 62.251 -0.246 1
1 615 . 3 1 1 A 46 46 PRO CB C 45 32.609 32.394 0.215 1
1 618 . 3 1 1 A 47 47 VAL H H 46 8.437 8.561 -0.124 1
1 619 . 3 1 1 A 47 47 VAL HA H 46 3.914 4.601 -0.687 1
1 627 . 3 1 1 A 47 47 VAL C C 46 175.367 176.122 -0.755 1
1 628 . 3 1 1 A 47 47 VAL CA C 46 62.700 61.660 1.040 1
1 629 . 3 1 1 A 47 47 VAL CB C 46 32.927 32.057 0.870 1
1 632 . 3 1 1 A 47 47 VAL N N 46 118.440 121.431 -2.991 1
1 633 . 3 1 1 A 48 48 LEU H H 47 7.863 8.895 -1.032 1
1 634 . 3 1 1 A 48 48 LEU HA H 47 4.384 4.127 0.257 1
1 644 . 3 1 1 A 48 48 LEU C C 47 176.088 177.846 -1.758 1
1 645 . 3 1 1 A 48 48 LEU CA C 47 54.851 56.033 -1.182 1
1 646 . 3 1 1 A 48 48 LEU CB C 47 43.841 44.102 -0.261 1
1 650 . 3 1 1 A 48 48 LEU N N 47 129.127 129.387 -0.260 1
1 651 . 3 1 1 A 49 49 ASP H H 48 8.699 8.853 -0.154 1
1 652 . 3 1 1 A 49 49 ASP HA H 48 4.293 4.346 -0.053 1
1 655 . 3 1 1 A 49 49 ASP C C 48 175.121 175.736 -0.615 1
1 656 . 3 1 1 A 49 49 ASP CA C 48 55.717 57.618 -1.901 1
1 657 . 3 1 1 A 49 49 ASP CB C 48 40.260 40.894 -0.634 1
1 658 . 3 1 1 A 49 49 ASP N N 48 121.389 125.691 -4.302 1
1 659 . 3 1 1 A 50 50 LYS H H 49 7.251 7.401 -0.150 1
1 660 . 3 1 1 A 50 50 LYS HA H 49 4.540 4.521 0.019 1
1 669 . 3 1 1 A 50 50 LYS C C 49 174.664 175.285 -0.621 1
1 670 . 3 1 1 A 50 50 LYS CA C 49 53.211 55.178 -1.967 1
1 671 . 3 1 1 A 50 50 LYS CB C 49 35.514 33.861 1.653 1
1 675 . 3 1 1 A 50 50 LYS N N 49 118.260 112.974 5.286 1
1 676 . 3 1 1 A 51 51 THR H H 50 8.162 8.113 0.049 1
1 677 . 3 1 1 A 51 51 THR HA H 50 4.685 4.760 -0.075 1
1 682 . 3 1 1 A 51 51 THR C C 50 171.631 174.663 -3.032 1
1 683 . 3 1 1 A 51 51 THR CA C 50 63.581 62.828 0.753 1
1 684 . 3 1 1 A 51 51 THR CB C 50 71.587 70.050 1.537 1
1 686 . 3 1 1 A 51 51 THR N N 50 112.535 113.059 -0.524 1
1 687 . 3 1 1 A 52 52 LYS H H 51 6.971 7.540 -0.569 1
1 688 . 3 1 1 A 52 52 LYS HA H 51 4.443 4.683 -0.240 1
1 697 . 3 1 1 A 52 52 LYS C C 51 175.417 175.732 -0.315 1
1 698 . 3 1 1 A 52 52 LYS CA C 51 55.209 55.846 -0.637 1
1 699 . 3 1 1 A 52 52 LYS CB C 51 33.309 33.651 -0.342 1
1 703 . 3 1 1 A 52 52 LYS N N 51 120.227 119.841 0.386 1
1 704 . 3 1 1 A 53 53 PHE H H 52 9.688 8.826 0.862 1
1 705 . 3 1 1 A 53 53 PHE HA H 52 5.675 5.005 0.670 1
1 712 . 3 1 1 A 53 53 PHE C C 52 174.348 174.780 -0.432 1
1 713 . 3 1 1 A 53 53 PHE CA C 52 56.625 56.719 -0.094 1
1 714 . 3 1 1 A 53 53 PHE CB C 52 43.109 42.870 0.239 1
1 716 . 3 1 1 A 53 53 PHE N N 52 124.646 121.842 2.804 1
1 717 . 3 1 1 A 54 54 LEU H H 53 8.470 9.039 -0.569 1
1 718 . 3 1 1 A 54 54 LEU HA H 53 5.044 4.966 0.078 1
1 728 . 3 1 1 A 54 54 LEU C C 53 176.144 175.293 0.851 1
1 729 . 3 1 1 A 54 54 LEU CA C 53 52.954 53.604 -0.650 1
1 730 . 3 1 1 A 54 54 LEU CB C 53 45.081 41.981 3.100 1
1 734 . 3 1 1 A 54 54 LEU N N 53 119.430 124.397 -4.967 1
1 735 . 3 1 1 A 55 55 VAL H H 54 8.802 8.617 0.185 1
1 736 . 3 1 1 A 55 55 VAL HA H 54 4.640 4.868 -0.228 1
1 744 . 3 1 1 A 55 55 VAL CA C 54 58.549 58.752 -0.203 1
1 745 . 3 1 1 A 55 55 VAL CB C 54 35.342 33.874 1.468 1
1 748 . 3 1 1 A 55 55 VAL N N 54 123.841 125.349 -1.508 1
1 749 . 3 1 1 A 56 56 PRO HA H 55 4.439 4.726 -0.287 1
1 756 . 3 1 1 A 56 56 PRO C C 55 176.666 176.421 0.245 1
1 757 . 3 1 1 A 56 56 PRO CA C 55 64.256 62.621 1.635 1
1 758 . 3 1 1 A 56 56 PRO CB C 55 32.783 32.380 0.403 1
1 761 . 3 1 1 A 57 57 ASP H H 56 8.412 7.993 0.419 1
1 762 . 3 1 1 A 57 57 ASP HA H 56 3.848 4.624 -0.776 1
1 765 . 3 1 1 A 57 57 ASP C C 56 175.417 176.649 -1.232 1
1 766 . 3 1 1 A 57 57 ASP CA C 56 56.616 53.795 2.821 1
1 767 . 3 1 1 A 57 57 ASP CB C 56 40.410 40.324 0.086 1
1 768 . 3 1 1 A 57 57 ASP N N 56 120.415 122.055 -1.640 1
1 769 . 3 1 1 A 58 58 HIS H H 57 7.373 7.922 -0.549 1
1 770 . 3 1 1 A 58 58 HIS HA H 57 4.770 4.861 -0.091 1
1 775 . 3 1 1 A 58 58 HIS C C 57 176.594 174.152 2.442 1
1 776 . 3 1 1 A 58 58 HIS CA C 57 55.584 55.180 0.404 1
1 777 . 3 1 1 A 58 58 HIS CB C 57 30.628 31.247 -0.619 1
1 780 . 3 1 1 A 58 58 HIS N N 57 113.439 114.179 -0.740 1
1 781 . 3 1 1 A 59 59 VAL H H 58 7.249 7.673 -0.424 1
1 782 . 3 1 1 A 59 59 VAL HA H 58 3.903 4.737 -0.834 1
1 790 . 3 1 1 A 59 59 VAL C C 58 175.014 173.837 1.177 1
1 791 . 3 1 1 A 59 59 VAL CA C 58 62.726 58.922 3.804 1
1 792 . 3 1 1 A 59 59 VAL CB C 58 32.190 36.238 -4.048 1
1 795 . 3 1 1 A 59 59 VAL N N 58 122.597 115.963 6.634 1
1 796 . 3 1 1 A 60 60 ASN H H 59 8.677 8.383 0.294 1
1 797 . 3 1 1 A 60 60 ASN HA H 59 5.187 5.163 0.024 1
1 802 . 3 1 1 A 60 60 ASN C C 59 176.477 177.019 -0.542 1
1 803 . 3 1 1 A 60 60 ASN CA C 59 51.181 51.375 -0.194 1
1 804 . 3 1 1 A 60 60 ASN CB C 59 39.947 40.893 -0.946 1
1 806 . 3 1 1 A 60 60 ASN N N 59 122.962 119.163 3.799 1
1 808 . 3 1 1 A 61 61 MET H H 60 8.038 8.722 -0.684 1
1 809 . 3 1 1 A 61 61 MET HA H 60 4.426 4.192 0.234 1
1 817 . 3 1 1 A 61 61 MET C C 60 177.996 178.457 -0.461 1
1 818 . 3 1 1 A 61 61 MET CA C 60 57.118 58.262 -1.144 1
1 819 . 3 1 1 A 61 61 MET CB C 60 29.998 31.923 -1.925 1
1 822 . 3 1 1 A 61 61 MET N N 60 116.814 120.936 -4.122 1
1 823 . 3 1 1 A 62 62 SER H H 61 8.401 8.158 0.243 1
1 824 . 3 1 1 A 62 62 SER HA H 61 4.132 4.118 0.014 1
1 827 . 3 1 1 A 62 62 SER C C 61 177.255 177.125 0.130 1
1 828 . 3 1 1 A 62 62 SER CA C 61 61.559 61.435 0.124 1
1 829 . 3 1 1 A 62 62 SER CB C 61 62.430 63.059 -0.629 1
1 830 . 3 1 1 A 62 62 SER N N 61 114.109 116.010 -1.901 1
1 831 . 3 1 1 A 63 63 GLU H H 62 8.014 8.150 -0.136 1
1 832 . 3 1 1 A 63 63 GLU HA H 62 4.016 3.994 0.022 1
1 837 . 3 1 1 A 63 63 GLU C C 62 178.327 178.803 -0.476 1
1 838 . 3 1 1 A 63 63 GLU CA C 62 58.787 59.352 -0.565 1
1 839 . 3 1 1 A 63 63 GLU CB C 62 29.814 29.394 0.420 1
1 841 . 3 1 1 A 63 63 GLU N N 62 122.806 121.422 1.384 1
1 842 . 3 1 1 A 64 64 LEU H H 63 8.254 8.212 0.042 1
1 843 . 3 1 1 A 64 64 LEU HA H 63 3.932 3.981 -0.049 1
1 853 . 3 1 1 A 64 64 LEU C C 63 178.029 178.548 -0.519 1
1 854 . 3 1 1 A 64 64 LEU CA C 63 57.986 58.190 -0.204 1
1 855 . 3 1 1 A 64 64 LEU CB C 63 41.377 41.903 -0.526 1
1 859 . 3 1 1 A 64 64 LEU N N 63 120.526 121.739 -1.213 1
1 860 . 3 1 1 A 65 65 ILE H H 64 8.415 8.458 -0.043 1
1 861 . 3 1 1 A 65 65 ILE HA H 64 3.377 3.652 -0.275 1
1 871 . 3 1 1 A 65 65 ILE C C 64 177.078 178.058 -0.980 1
1 872 . 3 1 1 A 65 65 ILE CA C 64 66.699 65.868 0.831 1
1 873 . 3 1 1 A 65 65 ILE CB C 64 38.128 38.209 -0.081 1
1 877 . 3 1 1 A 65 65 ILE N N 64 118.349 119.936 -1.587 1
1 878 . 3 1 1 A 66 66 LYS H H 65 7.366 7.953 -0.587 1
1 879 . 3 1 1 A 66 66 LYS HA H 65 3.696 4.131 -0.435 1
1 888 . 3 1 1 A 66 66 LYS C C 65 179.260 178.598 0.662 1
1 889 . 3 1 1 A 66 66 LYS CA C 65 60.593 58.425 2.168 1
1 890 . 3 1 1 A 66 66 LYS CB C 65 32.421 32.197 0.224 1
1 894 . 3 1 1 A 66 66 LYS N N 65 118.334 118.740 -0.406 1
1 895 . 3 1 1 A 67 67 ILE H H 66 8.179 7.574 0.605 1
1 896 . 3 1 1 A 67 67 ILE HA H 66 3.546 3.919 -0.373 1
1 906 . 3 1 1 A 67 67 ILE C C 66 178.784 178.299 0.485 1
1 907 . 3 1 1 A 67 67 ILE CA C 66 65.488 64.266 1.222 1
1 908 . 3 1 1 A 67 67 ILE CB C 66 38.593 37.660 0.933 1
1 912 . 3 1 1 A 67 67 ILE N N 66 119.791 118.652 1.139 1
1 913 . 3 1 1 A 68 68 ILE H H 67 8.279 8.242 0.037 1
1 914 . 3 1 1 A 68 68 ILE HA H 67 3.391 3.306 0.085 1
1 924 . 3 1 1 A 68 68 ILE C C 67 177.403 177.734 -0.331 1
1 925 . 3 1 1 A 68 68 ILE CA C 67 63.144 65.135 -1.991 1
1 926 . 3 1 1 A 68 68 ILE CB C 67 35.269 37.378 -2.109 1
1 930 . 3 1 1 A 68 68 ILE N N 67 120.267 121.055 -0.788 1
1 931 . 3 1 1 A 69 69 ARG H H 68 8.454 8.480 -0.026 1
1 932 . 3 1 1 A 69 69 ARG HA H 68 2.966 3.265 -0.299 1
1 939 . 3 1 1 A 69 69 ARG C C 68 178.385 177.555 0.830 1
1 940 . 3 1 1 A 69 69 ARG CA C 68 60.642 57.864 2.778 1
1 941 . 3 1 1 A 69 69 ARG CB C 68 30.442 29.401 1.041 1
1 944 . 3 1 1 A 69 69 ARG N N 68 118.881 120.295 -1.414 1
1 945 . 3 1 1 A 70 70 ARG H H 69 7.492 7.970 -0.478 1
1 946 . 3 1 1 A 70 70 ARG HA H 69 4.164 4.095 0.069 1
1 954 . 3 1 1 A 70 70 ARG C C 69 180.253 178.532 1.721 1
1 955 . 3 1 1 A 70 70 ARG CA C 69 58.510 58.690 -0.180 1
1 956 . 3 1 1 A 70 70 ARG CB C 69 29.587 29.785 -0.198 1
1 960 . 3 1 1 A 70 70 ARG N N 69 116.411 118.388 -1.977 1
1 962 . 3 1 1 A 71 71 ARG H H 70 8.086 8.149 -0.063 1
1 963 . 3 1 1 A 71 71 ARG HA H 70 4.025 4.061 -0.036 1
1 970 . 3 1 1 A 71 71 ARG C C 70 178.558 177.928 0.630 1
1 971 . 3 1 1 A 71 71 ARG CA C 70 59.428 58.888 0.540 1
1 972 . 3 1 1 A 71 71 ARG CB C 70 30.235 30.568 -0.333 1
1 975 . 3 1 1 A 71 71 ARG N N 70 122.779 119.023 3.756 1
1 976 . 3 1 1 A 72 72 LEU H H 71 7.755 7.449 0.306 1
1 977 . 3 1 1 A 72 72 LEU HA H 71 4.081 4.079 0.002 1
1 987 . 3 1 1 A 72 72 LEU C C 71 174.852 176.308 -1.456 1
1 988 . 3 1 1 A 72 72 LEU CA C 71 55.060 55.027 0.033 1
1 989 . 3 1 1 A 72 72 LEU CB C 71 43.109 41.686 1.423 1
1 993 . 3 1 1 A 72 72 LEU N N 71 116.551 118.105 -1.554 1
1 994 . 3 1 1 A 73 73 GLN H H 72 7.740 7.887 -0.147 1
1 995 . 3 1 1 A 73 73 GLN HA H 72 3.853 3.929 -0.076 1
1 1002 . 3 1 1 A 73 73 GLN C C 72 175.619 174.814 0.805 1
1 1003 . 3 1 1 A 73 73 GLN CA C 72 56.273 56.567 -0.294 1
1 1004 . 3 1 1 A 73 73 GLN CB C 72 25.939 26.458 -0.519 1
1 1007 . 3 1 1 A 73 73 GLN N N 72 114.737 117.789 -3.052 1
1 1009 . 3 1 1 A 74 74 LEU H H 73 7.525 7.452 0.073 1
1 1010 . 3 1 1 A 74 74 LEU HA H 73 4.242 4.401 -0.159 1
1 1020 . 3 1 1 A 74 74 LEU C C 73 178.611 175.834 2.777 1
1 1021 . 3 1 1 A 74 74 LEU CA C 73 54.382 54.413 -0.031 1
1 1022 . 3 1 1 A 74 74 LEU CB C 73 41.995 42.085 -0.090 1
1 1026 . 3 1 1 A 74 74 LEU N N 73 114.861 120.439 -5.578 1
1 1027 . 3 1 1 A 75 75 ASN H H 74 8.970 8.368 0.602 1
1 1028 . 3 1 1 A 75 75 ASN HA H 74 4.694 5.048 -0.354 1
1 1033 . 3 1 1 A 75 75 ASN C C 74 176.527 175.265 1.262 1
1 1034 . 3 1 1 A 75 75 ASN CA C 74 52.686 51.445 1.241 1
1 1035 . 3 1 1 A 75 75 ASN CB C 74 39.583 42.011 -2.428 1
1 1037 . 3 1 1 A 75 75 ASN N N 74 121.274 118.584 2.690 1
1 1039 . 3 1 1 A 76 76 ALA H H 75 8.697 8.627 0.070 1
1 1040 . 3 1 1 A 76 76 ALA HA H 75 3.966 4.048 -0.082 1
1 1044 . 3 1 1 A 76 76 ALA C C 75 178.002 179.822 -1.820 1
1 1045 . 3 1 1 A 76 76 ALA CA C 75 54.797 55.353 -0.556 1
1 1046 . 3 1 1 A 76 76 ALA CB C 75 18.669 18.126 0.543 1
1 1047 . 3 1 1 A 76 76 ALA N N 75 123.590 125.003 -1.413 1
1 1048 . 3 1 1 A 77 77 ASN H H 76 8.344 8.162 0.182 1
1 1049 . 3 1 1 A 77 77 ASN HA H 76 4.585 4.522 0.063 1
1 1054 . 3 1 1 A 77 77 ASN C C 76 175.371 175.769 -0.398 1
1 1055 . 3 1 1 A 77 77 ASN CA C 76 53.183 56.147 -2.964 1
1 1056 . 3 1 1 A 77 77 ASN CB C 76 38.277 38.208 0.069 1
1 1058 . 3 1 1 A 77 77 ASN N N 76 112.004 115.226 -3.222 1
1 1060 . 3 1 1 A 78 78 GLN H H 77 7.532 7.541 -0.009 1
1 1061 . 3 1 1 A 78 78 GLN HA H 77 4.281 4.691 -0.410 1
1 1068 . 3 1 1 A 78 78 GLN C C 77 175.001 174.974 0.027 1
1 1069 . 3 1 1 A 78 78 GLN CA C 77 55.875 55.453 0.422 1
1 1070 . 3 1 1 A 78 78 GLN CB C 77 30.227 30.258 -0.031 1
1 1073 . 3 1 1 A 78 78 GLN N N 77 120.237 119.148 1.089 1
1 1075 . 3 1 1 A 79 79 ALA H H 78 8.732 8.876 -0.144 1
1 1076 . 3 1 1 A 79 79 ALA HA H 78 4.183 5.332 -1.149 1
1 1080 . 3 1 1 A 79 79 ALA C C 78 176.367 175.696 0.671 1
1 1081 . 3 1 1 A 79 79 ALA CA C 78 52.798 50.127 2.671 1
1 1082 . 3 1 1 A 79 79 ALA CB C 78 20.051 21.856 -1.805 1
1 1083 . 3 1 1 A 79 79 ALA N N 78 130.399 128.671 1.728 1
1 1084 . 3 1 1 A 80 80 PHE H H 79 7.603 8.485 -0.882 1
1 1085 . 3 1 1 A 80 80 PHE HA H 79 4.449 5.194 -0.745 1
1 1093 . 3 1 1 A 80 80 PHE C C 79 171.709 173.114 -1.405 1
1 1094 . 3 1 1 A 80 80 PHE CA C 79 59.101 56.964 2.137 1
1 1095 . 3 1 1 A 80 80 PHE CB C 79 42.282 42.521 -0.239 1
1 1099 . 3 1 1 A 80 80 PHE N N 79 118.988 123.167 -4.179 1
1 1100 . 3 1 1 A 81 81 PHE H H 80 8.507 9.072 -0.565 1
1 1101 . 3 1 1 A 81 81 PHE HA H 80 4.421 4.470 -0.049 1
1 1109 . 3 1 1 A 81 81 PHE C C 80 172.644 173.951 -1.307 1
1 1110 . 3 1 1 A 81 81 PHE CA C 80 56.711 55.850 0.861 1
1 1111 . 3 1 1 A 81 81 PHE CB C 80 41.880 41.717 0.163 1
1 1115 . 3 1 1 A 81 81 PHE N N 80 126.042 125.106 0.936 1
1 1116 . 3 1 1 A 82 82 LEU H H 81 8.199 8.478 -0.279 1
1 1117 . 3 1 1 A 82 82 LEU HA H 81 4.883 4.843 0.040 1
1 1127 . 3 1 1 A 82 82 LEU C C 81 174.440 174.838 -0.398 1
1 1128 . 3 1 1 A 82 82 LEU CA C 81 53.153 54.311 -1.158 1
1 1129 . 3 1 1 A 82 82 LEU CB C 81 45.520 42.646 2.874 1
1 1133 . 3 1 1 A 82 82 LEU N N 81 121.512 126.456 -4.944 1
1 1134 . 3 1 1 A 83 83 LEU H H 82 9.349 9.572 -0.223 1
1 1135 . 3 1 1 A 83 83 LEU HA H 82 4.810 4.689 0.121 1
1 1145 . 3 1 1 A 83 83 LEU C C 82 177.075 176.081 0.994 1
1 1146 . 3 1 1 A 83 83 LEU CA C 82 54.122 53.867 0.255 1
1 1147 . 3 1 1 A 83 83 LEU CB C 82 43.394 41.766 1.628 1
1 1151 . 3 1 1 A 83 83 LEU N N 82 125.253 129.064 -3.811 1
1 1152 . 3 1 1 A 84 84 VAL H H 83 8.681 9.108 -0.427 1
1 1153 . 3 1 1 A 84 84 VAL HA H 83 4.411 3.827 0.584 1
1 1161 . 3 1 1 A 84 84 VAL C C 83 175.797 176.290 -0.493 1
1 1162 . 3 1 1 A 84 84 VAL CA C 83 61.630 62.467 -0.837 1
1 1163 . 3 1 1 A 84 84 VAL CB C 83 33.647 30.728 2.919 1
1 1166 . 3 1 1 A 84 84 VAL N N 83 123.543 125.707 -2.164 1
1 1167 . 3 1 1 A 85 85 ASN H H 84 9.622 9.200 0.422 1
1 1168 . 3 1 1 A 85 85 ASN HA H 84 4.399 4.730 -0.331 1
1 1173 . 3 1 1 A 85 85 ASN C C 84 175.042 174.849 0.193 1
1 1174 . 3 1 1 A 85 85 ASN CA C 84 54.610 54.249 0.361 1
1 1175 . 3 1 1 A 85 85 ASN CB C 84 37.927 37.002 0.925 1
1 1177 . 3 1 1 A 85 85 ASN N N 84 125.848 127.178 -1.330 1
1 1179 . 3 1 1 A 86 86 GLY H H 85 8.551 8.278 0.273 1
1 1180 . 3 1 1 A 86 86 GLY HA2 H 85 3.368 4.043 -0.675 1
1 1181 . 3 1 1 A 86 86 GLY HA3 H 85 4.064 4.057 0.007 1
1 1182 . 3 1 1 A 86 86 GLY C C 85 173.524 173.810 -0.286 1
1 1183 . 3 1 1 A 86 86 GLY CA C 85 45.588 45.189 0.399 1
1 1184 . 3 1 1 A 86 86 GLY N N 85 101.093 104.843 -3.750 1
1 1185 . 3 1 1 A 87 87 HIS H H 86 7.906 7.390 0.516 1
1 1186 . 3 1 1 A 87 87 HIS HA H 86 5.003 5.147 -0.144 1
1 1191 . 3 1 1 A 87 87 HIS C C 86 173.910 173.991 -0.081 1
1 1192 . 3 1 1 A 87 87 HIS CA C 86 54.213 53.542 0.671 1
1 1193 . 3 1 1 A 87 87 HIS CB C 86 31.482 32.408 -0.926 1
1 1196 . 3 1 1 A 87 87 HIS N N 86 117.253 116.279 0.974 1
1 1197 . 3 1 1 A 88 88 SER H H 87 8.846 8.624 0.222 1
1 1198 . 3 1 1 A 88 88 SER HA H 87 4.702 4.503 0.199 1
1 1201 . 3 1 1 A 88 88 SER C C 87 175.739 175.311 0.428 1
1 1202 . 3 1 1 A 88 88 SER CA C 87 58.245 58.437 -0.192 1
1 1203 . 3 1 1 A 88 88 SER CB C 87 63.764 64.500 -0.736 1
1 1204 . 3 1 1 A 88 88 SER N N 87 117.469 118.693 -1.224 1
1 1205 . 3 1 1 A 89 89 MET H H 88 9.174 8.421 0.753 1
1 1206 . 3 1 1 A 89 89 MET HA H 88 4.820 4.908 -0.088 1
1 1214 . 3 1 1 A 89 89 MET C C 88 176.294 177.082 -0.788 1
1 1215 . 3 1 1 A 89 89 MET CA C 88 54.853 54.022 0.831 1
1 1216 . 3 1 1 A 89 89 MET CB C 88 33.183 32.031 1.152 1
1 1219 . 3 1 1 A 89 89 MET N N 88 125.111 121.735 3.376 1
1 1220 . 3 1 1 A 90 90 VAL H H 89 8.217 7.464 0.753 1
1 1221 . 3 1 1 A 90 90 VAL HA H 89 4.063 3.753 0.310 1
1 1229 . 3 1 1 A 90 90 VAL C C 89 176.249 175.503 0.746 1
1 1230 . 3 1 1 A 90 90 VAL CA C 89 63.377 64.852 -1.475 1
1 1231 . 3 1 1 A 90 90 VAL CB C 89 32.473 31.704 0.769 1
1 1234 . 3 1 1 A 90 90 VAL N N 89 120.477 120.277 0.200 1
1 1235 . 3 1 1 A 91 91 SER H H 90 8.356 7.984 0.372 1
1 1236 . 3 1 1 A 91 91 SER HA H 90 4.614 5.033 -0.419 1
1 1239 . 3 1 1 A 91 91 SER C C 90 175.841 172.464 3.377 1
1 1240 . 3 1 1 A 91 91 SER CA C 90 57.860 57.719 0.141 1
1 1241 . 3 1 1 A 91 91 SER CB C 90 63.398 64.227 -0.829 1
1 1242 . 3 1 1 A 91 91 SER N N 90 116.676 115.357 1.319 1
1 1243 . 3 1 1 A 92 92 VAL H H 91 8.158 8.952 -0.794 1
1 1244 . 3 1 1 A 92 92 VAL HA H 91 4.245 4.727 -0.482 1
1 1252 . 3 1 1 A 92 92 VAL C C 91 175.856 175.360 0.496 1
1 1253 . 3 1 1 A 92 92 VAL CA C 91 63.121 61.427 1.694 1
1 1254 . 3 1 1 A 92 92 VAL CB C 91 31.872 33.011 -1.139 1
1 1257 . 3 1 1 A 92 92 VAL N N 91 119.994 127.842 -7.848 1
1 1258 . 3 1 1 A 93 93 SER H H 92 8.368 8.878 -0.510 1
1 1259 . 3 1 1 A 93 93 SER HA H 92 4.581 4.783 -0.202 1
1 1262 . 3 1 1 A 93 93 SER C C 92 174.154 173.549 0.605 1
1 1263 . 3 1 1 A 93 93 SER CA C 92 57.706 57.294 0.412 1
1 1264 . 3 1 1 A 93 93 SER CB C 92 63.126 64.207 -1.081 1
1 1265 . 3 1 1 A 93 93 SER N N 92 116.504 126.495 -9.991 1
1 1266 . 3 1 1 A 94 94 THR H H 93 7.427 7.539 -0.112 1
1 1267 . 3 1 1 A 94 94 THR HA H 93 4.464 4.639 -0.175 1
1 1272 . 3 1 1 A 94 94 THR CA C 93 61.032 59.117 1.915 1
1 1273 . 3 1 1 A 94 94 THR CB C 93 70.505 71.575 -1.070 1
1 1275 . 3 1 1 A 94 94 THR N N 93 119.172 116.005 3.167 1
1 1276 . 3 1 1 A 95 95 PRO HA H 94 4.426 4.727 -0.301 1
1 1283 . 3 1 1 A 95 95 PRO C C 94 178.692 178.072 0.620 1
1 1284 . 3 1 1 A 95 95 PRO CA C 94 62.921 62.745 0.176 1
1 1285 . 3 1 1 A 95 95 PRO CB C 94 32.774 32.374 0.400 1
1 1288 . 3 1 1 A 96 96 ILE H H 95 9.324 9.005 0.319 1
1 1289 . 3 1 1 A 96 96 ILE HA H 95 3.956 4.012 -0.056 1
1 1299 . 3 1 1 A 96 96 ILE C C 95 176.415 177.179 -0.764 1
1 1300 . 3 1 1 A 96 96 ILE CA C 95 63.880 63.680 0.200 1
1 1301 . 3 1 1 A 96 96 ILE CB C 95 38.055 37.945 0.110 1
1 1305 . 3 1 1 A 96 96 ILE N N 95 123.862 125.775 -1.913 1
1 1306 . 3 1 1 A 97 97 SER H H 96 8.211 8.336 -0.125 1
1 1307 . 3 1 1 A 97 97 SER HA H 96 3.978 4.139 -0.161 1
1 1310 . 3 1 1 A 97 97 SER C C 96 176.494 177.409 -0.915 1
1 1311 . 3 1 1 A 97 97 SER CA C 96 61.576 61.379 0.197 1
1 1312 . 3 1 1 A 97 97 SER CB C 96 61.262 62.272 -1.010 1
1 1313 . 3 1 1 A 97 97 SER N N 96 116.529 117.248 -0.719 1
1 1314 . 3 1 1 A 98 98 GLU H H 97 7.329 8.067 -0.738 1
1 1315 . 3 1 1 A 98 98 GLU HA H 97 4.290 4.227 0.063 1
1 1320 . 3 1 1 A 98 98 GLU C C 97 179.288 178.953 0.335 1
1 1321 . 3 1 1 A 98 98 GLU CA C 97 58.705 59.431 -0.726 1
1 1322 . 3 1 1 A 98 98 GLU CB C 97 29.791 30.154 -0.363 1
1 1324 . 3 1 1 A 98 98 GLU N N 97 122.955 122.592 0.363 1
1 1325 . 3 1 1 A 99 99 VAL H H 98 7.386 8.144 -0.758 1
1 1326 . 3 1 1 A 99 99 VAL HA H 98 3.815 3.819 -0.004 1
1 1334 . 3 1 1 A 99 99 VAL C C 98 177.662 178.217 -0.555 1
1 1335 . 3 1 1 A 99 99 VAL CA C 98 65.774 65.865 -0.091 1
1 1336 . 3 1 1 A 99 99 VAL CB C 98 32.047 31.793 0.254 1
1 1339 . 3 1 1 A 99 99 VAL N N 98 120.888 120.602 0.286 1
1 1340 . 3 1 1 A 100 100 TYR H H 99 8.984 7.995 0.989 1
1 1341 . 3 1 1 A 100 100 TYR HA H 99 4.013 4.207 -0.194 1
1 1348 . 3 1 1 A 100 100 TYR C C 99 176.355 178.111 -1.756 1
1 1349 . 3 1 1 A 100 100 TYR CA C 99 62.118 61.571 0.547 1
1 1350 . 3 1 1 A 100 100 TYR CB C 99 38.921 38.850 0.071 1
1 1353 . 3 1 1 A 100 100 TYR N N 99 118.874 121.129 -2.255 1
1 1354 . 3 1 1 A 101 101 GLU H H 100 7.433 8.622 -1.189 1
1 1355 . 3 1 1 A 101 101 GLU HA H 100 3.833 4.118 -0.285 1
1 1360 . 3 1 1 A 101 101 GLU C C 100 177.674 177.059 0.615 1
1 1361 . 3 1 1 A 101 101 GLU CA C 100 58.895 58.058 0.837 1
1 1362 . 3 1 1 A 101 101 GLU CB C 100 29.577 28.518 1.059 1
1 1364 . 3 1 1 A 101 101 GLU N N 100 114.383 117.860 -3.477 1
1 1365 . 3 1 1 A 102 102 SER H H 101 7.423 8.171 -0.748 1
1 1366 . 3 1 1 A 102 102 SER HA H 101 4.552 4.598 -0.046 1
1 1369 . 3 1 1 A 102 102 SER C C 101 176.554 174.806 1.748 1
1 1370 . 3 1 1 A 102 102 SER CA C 101 60.200 59.094 1.106 1
1 1371 . 3 1 1 A 102 102 SER CB C 101 64.828 64.334 0.494 1
1 1372 . 3 1 1 A 102 102 SER N N 101 108.722 115.210 -6.488 1
1 1373 . 3 1 1 A 103 103 GLU H H 102 8.488 7.904 0.584 1
1 1374 . 3 1 1 A 103 103 GLU HA H 102 4.752 4.466 0.286 1
1 1379 . 3 1 1 A 103 103 GLU C C 102 176.653 176.464 0.189 1
1 1380 . 3 1 1 A 103 103 GLU CA C 102 55.464 57.469 -2.005 1
1 1381 . 3 1 1 A 103 103 GLU CB C 102 30.611 31.534 -0.923 1
1 1383 . 3 1 1 A 103 103 GLU N N 102 116.116 118.786 -2.670 1
1 1384 . 3 1 1 A 104 104 ARG H H 103 7.511 7.686 -0.175 1
1 1385 . 3 1 1 A 104 104 ARG HA H 103 4.241 4.243 -0.002 1
1 1392 . 3 1 1 A 104 104 ARG C C 103 174.634 174.971 -0.337 1
1 1393 . 3 1 1 A 104 104 ARG CA C 103 56.926 56.198 0.728 1
1 1394 . 3 1 1 A 104 104 ARG CB C 103 29.713 29.912 -0.199 1
1 1397 . 3 1 1 A 104 104 ARG N N 103 117.180 118.626 -1.446 1
1 1398 . 3 1 1 A 105 105 ASP H H 104 9.069 8.017 1.052 1
1 1399 . 3 1 1 A 105 105 ASP HA H 104 4.774 4.971 -0.197 1
1 1402 . 3 1 1 A 105 105 ASP C C 104 177.460 176.266 1.194 1
1 1403 . 3 1 1 A 105 105 ASP CA C 104 53.852 51.981 1.871 1
1 1404 . 3 1 1 A 105 105 ASP CB C 104 43.424 44.025 -0.601 1
1 1405 . 3 1 1 A 105 105 ASP N N 104 123.349 122.710 0.639 1
1 1406 . 3 1 1 A 106 106 GLU H H 105 8.982 8.957 0.025 1
1 1407 . 3 1 1 A 106 106 GLU HA H 105 4.199 4.019 0.180 1
1 1412 . 3 1 1 A 106 106 GLU C C 105 177.398 178.063 -0.665 1
1 1413 . 3 1 1 A 106 106 GLU CA C 105 59.413 59.794 -0.381 1
1 1414 . 3 1 1 A 106 106 GLU CB C 105 29.983 29.390 0.593 1
1 1416 . 3 1 1 A 106 106 GLU N N 105 125.197 122.766 2.431 1
1 1417 . 3 1 1 A 107 107 ASP H H 106 9.873 8.130 1.743 1
1 1418 . 3 1 1 A 107 107 ASP HA H 106 4.211 4.003 0.208 1
1 1421 . 3 1 1 A 107 107 ASP C C 106 175.775 176.695 -0.920 1
1 1422 . 3 1 1 A 107 107 ASP CA C 106 54.698 55.419 -0.721 1
1 1423 . 3 1 1 A 107 107 ASP CB C 106 40.187 41.553 -1.366 1
1 1424 . 3 1 1 A 107 107 ASP N N 106 118.717 117.096 1.621 1
1 1425 . 3 1 1 A 108 108 GLY H H 107 7.971 8.089 -0.118 1
1 1426 . 3 1 1 A 108 108 GLY HA2 H 107 3.431 3.958 -0.527 1
1 1427 . 3 1 1 A 108 108 GLY HA3 H 107 4.526 3.969 0.557 1
1 1428 . 3 1 1 A 108 108 GLY C C 107 175.138 173.746 1.392 1
1 1429 . 3 1 1 A 108 108 GLY CA C 107 45.029 45.261 -0.232 1
1 1430 . 3 1 1 A 108 108 GLY N N 107 105.017 108.841 -3.824 1
1 1431 . 3 1 1 A 109 109 PHE H H 108 9.799 8.329 1.470 1
1 1432 . 3 1 1 A 109 109 PHE HA H 108 4.607 4.715 -0.108 1
1 1440 . 3 1 1 A 109 109 PHE C C 108 175.171 175.014 0.157 1
1 1441 . 3 1 1 A 109 109 PHE CA C 108 60.222 57.244 2.978 1
1 1442 . 3 1 1 A 109 109 PHE CB C 108 40.433 40.735 -0.302 1
1 1446 . 3 1 1 A 109 109 PHE N N 108 123.309 119.942 3.367 1
1 1447 . 3 1 1 A 110 110 LEU H H 109 8.061 9.041 -0.980 1
1 1448 . 3 1 1 A 110 110 LEU HA H 109 5.022 4.354 0.668 1
1 1458 . 3 1 1 A 110 110 LEU C C 109 174.033 175.769 -1.736 1
1 1459 . 3 1 1 A 110 110 LEU CA C 109 53.539 54.769 -1.230 1
1 1460 . 3 1 1 A 110 110 LEU CB C 109 45.284 42.678 2.606 1
1 1464 . 3 1 1 A 110 110 LEU N N 109 119.999 126.091 -6.092 1
1 1465 . 3 1 1 A 111 111 TYR H H 110 9.363 9.313 0.050 1
1 1466 . 3 1 1 A 111 111 TYR HA H 110 4.906 5.031 -0.125 1
1 1473 . 3 1 1 A 111 111 TYR C C 110 176.538 174.771 1.767 1
1 1474 . 3 1 1 A 111 111 TYR CA C 110 59.335 56.633 2.702 1
1 1475 . 3 1 1 A 111 111 TYR CB C 110 39.485 40.213 -0.728 1
1 1478 . 3 1 1 A 111 111 TYR N N 110 126.322 121.696 4.626 1
1 1479 . 3 1 1 A 112 112 MET H H 111 9.496 8.931 0.565 1
1 1480 . 3 1 1 A 112 112 MET HA H 111 5.522 5.383 0.139 1
1 1488 . 3 1 1 A 112 112 MET C C 111 175.676 174.633 1.043 1
1 1489 . 3 1 1 A 112 112 MET CA C 111 54.216 54.398 -0.182 1
1 1490 . 3 1 1 A 112 112 MET CB C 111 36.821 37.221 -0.400 1
1 1493 . 3 1 1 A 112 112 MET N N 111 119.003 123.173 -4.170 1
1 1494 . 3 1 1 A 113 113 VAL H H 112 8.749 9.069 -0.320 1
1 1495 . 3 1 1 A 113 113 VAL HA H 112 5.967 5.101 0.866 1
1 1503 . 3 1 1 A 113 113 VAL C C 112 174.893 175.326 -0.433 1
1 1504 . 3 1 1 A 113 113 VAL CA C 112 58.896 61.416 -2.520 1
1 1505 . 3 1 1 A 113 113 VAL CB C 112 36.149 34.309 1.840 1
1 1508 . 3 1 1 A 113 113 VAL N N 112 119.658 121.687 -2.029 1
1 1509 . 3 1 1 A 114 114 TYR H H 113 8.210 8.515 -0.305 1
1 1510 . 3 1 1 A 114 114 TYR HA H 113 6.141 5.885 0.256 1
1 1517 . 3 1 1 A 114 114 TYR C C 113 173.353 174.268 -0.915 1
1 1518 . 3 1 1 A 114 114 TYR CA C 113 54.161 55.122 -0.961 1
1 1519 . 3 1 1 A 114 114 TYR CB C 113 43.538 42.175 1.363 1
1 1522 . 3 1 1 A 114 114 TYR N N 113 118.947 125.254 -6.307 1
1 1523 . 3 1 1 A 115 115 ALA H H 114 8.483 8.688 -0.205 1
1 1524 . 3 1 1 A 115 115 ALA HA H 114 4.762 4.883 -0.121 1
1 1528 . 3 1 1 A 115 115 ALA C C 114 176.033 176.819 -0.786 1
1 1529 . 3 1 1 A 115 115 ALA CA C 114 51.223 51.380 -0.157 1
1 1530 . 3 1 1 A 115 115 ALA CB C 114 24.521 22.413 2.108 1
1 1531 . 3 1 1 A 115 115 ALA N N 114 119.557 121.904 -2.347 1
1 1532 . 3 1 1 A 116 116 SER H H 115 9.835 8.590 1.245 1
1 1533 . 3 1 1 A 116 116 SER HA H 115 4.497 4.882 -0.385 1
1 1536 . 3 1 1 A 116 116 SER C C 115 172.664 173.748 -1.084 1
1 1537 . 3 1 1 A 116 116 SER CA C 115 58.669 58.016 0.653 1
1 1538 . 3 1 1 A 116 116 SER CB C 115 63.570 63.481 0.089 1
1 1539 . 3 1 1 A 116 116 SER N N 115 114.435 114.593 -0.158 1
1 1540 . 3 1 1 A 117 117 GLN H H 116 7.180 7.626 -0.446 1
1 1541 . 3 1 1 A 117 117 GLN HA H 116 4.460 4.908 -0.448 1
1 1548 . 3 1 1 A 117 117 GLN C C 116 172.901 175.540 -2.639 1
1 1549 . 3 1 1 A 117 117 GLN CA C 116 53.974 54.885 -0.911 1
1 1550 . 3 1 1 A 117 117 GLN CB C 116 32.192 31.704 0.488 1
1 1553 . 3 1 1 A 117 117 GLN N N 116 116.449 120.404 -3.955 1
1 1555 . 3 1 1 A 118 118 GLU H H 117 7.878 8.974 -1.096 1
1 1556 . 3 1 1 A 118 118 GLU HA H 117 3.259 4.569 -1.310 1
1 1561 . 3 1 1 A 118 118 GLU C C 117 175.233 176.982 -1.749 1
1 1562 . 3 1 1 A 118 118 GLU CA C 117 56.890 56.693 0.197 1
1 1563 . 3 1 1 A 118 118 GLU CB C 117 30.325 30.361 -0.036 1
1 1565 . 3 1 1 A 118 118 GLU N N 117 117.687 126.270 -8.583 1
1 1566 . 3 1 1 A 119 119 THR H H 118 6.968 7.647 -0.679 1
1 1567 . 3 1 1 A 119 119 THR HA H 118 4.082 4.532 -0.450 1
1 1572 . 3 1 1 A 119 119 THR C C 118 173.134 174.838 -1.704 1
1 1573 . 3 1 1 A 119 119 THR CA C 118 60.123 59.779 0.344 1
1 1574 . 3 1 1 A 119 119 THR CB C 118 70.147 68.480 1.667 1
1 1576 . 3 1 1 A 119 119 THR N N 118 109.548 107.904 1.644 1
1 1577 . 3 1 1 A 120 120 PHE H H 119 8.138 7.952 0.186 1
1 1578 . 3 1 1 A 120 120 PHE HA H 119 4.436 4.278 0.158 1
1 1586 . 3 1 1 A 120 120 PHE C C 119 174.902 177.401 -2.499 1
1 1587 . 3 1 1 A 120 120 PHE CA C 119 56.750 58.719 -1.969 1
1 1588 . 3 1 1 A 120 120 PHE CB C 119 39.411 38.278 1.133 1
1 1592 . 3 1 1 A 120 120 PHE N N 119 121.777 121.445 0.332 1
1 1607 . 3 2 2 B 2 2 SER H H 332 8.471 9.064 -0.593 1
1 1608 . 3 2 2 B 2 2 SER HA H 332 4.484 4.784 -0.300 1
1 1611 . 3 2 2 B 2 2 SER C C 332 174.962 173.851 1.111 1
1 1612 . 3 2 2 B 2 2 SER CA C 332 88.436 57.545 30.891 1
1 1613 . 3 2 2 B 2 2 SER CB C 332 93.927 64.226 29.701 1
1 1614 . 3 2 2 B 2 2 SER N N 332 147.261 115.825 31.436 1
1 1615 . 3 2 2 B 3 3 GLY H H 333 8.601 7.182 1.419 1
1 1616 . 3 2 2 B 3 3 GLY HA2 H 333 4.022 4.102 -0.080 1
1 1617 . 3 2 2 B 3 3 GLY HA3 H 333 4.022 4.106 -0.084 1
1 1618 . 3 2 2 B 3 3 GLY C C 333 174.774 174.178 0.596 1
1 1619 . 3 2 2 B 3 3 GLY CA C 333 75.465 44.794 30.671 1
1 1620 . 3 2 2 B 3 3 GLY N N 333 141.077 108.711 32.366 1
1 1621 . 3 2 2 B 4 4 GLY H H 334 8.372 8.791 -0.419 1
1 1622 . 3 2 2 B 4 4 GLY HA2 H 334 3.980 4.096 -0.116 1
1 1623 . 3 2 2 B 4 4 GLY HA3 H 334 3.980 4.099 -0.119 1
1 1624 . 3 2 2 B 4 4 GLY C C 334 174.758 174.559 0.199 1
1 1625 . 3 2 2 B 4 4 GLY CA C 334 75.674 44.741 30.933 1
1 1626 . 3 2 2 B 4 4 GLY N N 334 138.894 108.867 30.027 1
1 1627 . 3 2 2 B 5 5 ASP H H 335 8.429 8.207 0.222 1
1 1628 . 3 2 2 B 5 5 ASP HA H 335 4.610 5.070 -0.460 1
1 1631 . 3 2 2 B 5 5 ASP CA C 335 85.066 53.911 31.155 1
1 1632 . 3 2 2 B 5 5 ASP CB C 335 71.191 41.336 29.855 1
1 1633 . 3 2 2 B 5 5 ASP N N 335 149.637 124.316 25.321 1
1 1634 . 3 2 2 B 6 6 ASP H H 336 8.244 8.263 -0.019 1
1 1635 . 3 2 2 B 6 6 ASP HA H 336 4.559 4.350 0.209 1
1 1638 . 3 2 2 B 6 6 ASP C C 336 175.432 176.507 -1.075 1
1 1639 . 3 2 2 B 6 6 ASP CA C 336 84.708 57.649 27.059 1
1 1640 . 3 2 2 B 6 6 ASP CB C 336 71.552 41.079 30.473 1
1 1641 . 3 2 2 B 6 6 ASP N N 336 148.885 120.088 28.797 1
1 1642 . 3 2 2 B 7 7 ASP H H 337 7.803 8.095 -0.292 1
1 1643 . 3 2 2 B 7 7 ASP HA H 337 4.655 5.110 -0.455 1
1 1646 . 3 2 2 B 7 7 ASP C C 337 175.362 175.526 -0.164 1
1 1647 . 3 2 2 B 7 7 ASP CA C 337 83.670 52.856 30.814 1
1 1648 . 3 2 2 B 7 7 ASP CB C 337 71.933 44.155 27.778 1
1 1649 . 3 2 2 B 7 7 ASP N N 337 149.563 118.175 31.388 1
1 1650 . 3 2 2 B 8 8 TRP H H 338 8.472 8.609 -0.137 1
1 1651 . 3 2 2 B 8 8 TRP HA H 338 4.174 4.794 -0.620 1
1 1660 . 3 2 2 B 8 8 TRP C C 338 175.959 176.247 -0.288 1
1 1661 . 3 2 2 B 8 8 TRP CA C 338 87.020 57.615 29.405 1
1 1662 . 3 2 2 B 8 8 TRP CB C 338 61.223 30.020 31.203 1
1 1668 . 3 2 2 B 8 8 TRP N N 338 150.172 123.876 26.296 1
1 1670 . 3 2 2 B 9 9 THR H H 339 7.994 8.475 -0.481 1
1 1671 . 3 2 2 B 9 9 THR HA H 339 4.533 4.472 0.061 1
1 1676 . 3 2 2 B 9 9 THR C C 339 174.035 172.941 1.094 1
1 1677 . 3 2 2 B 9 9 THR CA C 339 92.659 60.060 32.599 1
1 1678 . 3 2 2 B 9 9 THR CB C 339 99.436 70.697 28.739 1
1 1680 . 3 2 2 B 9 9 THR N N 339 149.503 115.526 33.977 1
1 1681 . 3 2 2 B 10 10 HIS H H 340 9.463 8.084 1.379 1
1 1682 . 3 2 2 B 10 10 HIS HA H 340 4.677 5.093 -0.416 1
1 1687 . 3 2 2 B 10 10 HIS C C 340 175.606 174.065 1.541 1
1 1688 . 3 2 2 B 10 10 HIS CA C 340 87.024 54.530 32.494 1
1 1689 . 3 2 2 B 10 10 HIS CB C 340 61.368 31.872 29.496 1
1 1692 . 3 2 2 B 10 10 HIS N N 340 159.135 123.557 35.578 1
1 1693 . 3 2 2 B 11 11 LEU H H 341 8.398 9.218 -0.820 1
1 1694 . 3 2 2 B 11 11 LEU HA H 341 4.848 4.714 0.134 1
1 1704 . 3 2 2 B 11 11 LEU C C 341 175.919 175.761 0.158 1
1 1705 . 3 2 2 B 11 11 LEU CA C 341 83.684 53.953 29.731 1
1 1706 . 3 2 2 B 11 11 LEU CB C 341 73.601 41.271 32.330 1
1 1710 . 3 2 2 B 11 11 LEU N N 341 153.300 125.820 27.480 1
1 1711 . 3 2 2 B 12 12 SER H H 342 8.382 8.948 -0.566 1
1 1712 . 3 2 2 B 12 12 SER HA H 342 4.652 4.895 -0.243 1
1 1715 . 3 2 2 B 12 12 SER C C 342 174.263 174.693 -0.430 1
1 1716 . 3 2 2 B 12 12 SER CA C 342 86.841 58.139 28.702 1
1 1717 . 3 2 2 B 12 12 SER CB C 342 95.113 63.864 31.249 1
1 1718 . 3 2 2 B 12 12 SER N N 342 144.018 122.382 21.636 1
1 1719 . 3 2 2 B 13 13 SER H H 343 8.937 9.096 -0.159 1
1 1720 . 3 2 2 B 13 13 SER HA H 343 4.291 4.457 -0.166 1
1 1723 . 3 2 2 B 13 13 SER C C 343 174.652 174.918 -0.266 1
1 1724 . 3 2 2 B 13 13 SER CA C 343 89.546 59.357 30.189 1
1 1725 . 3 2 2 B 13 13 SER CB C 343 93.470 63.483 29.987 1
1 1726 . 3 2 2 B 13 13 SER N N 343 148.575 120.728 27.847 1
1 1727 . 3 2 2 B 14 14 LYS H H 344 8.250 8.224 0.026 1
1 1728 . 3 2 2 B 14 14 LYS HA H 344 4.319 4.376 -0.057 1
1 1737 . 3 2 2 B 14 14 LYS C C 344 176.699 177.504 -0.805 1
1 1738 . 3 2 2 B 14 14 LYS CA C 344 86.716 57.811 28.905 1
1 1739 . 3 2 2 B 14 14 LYS CB C 344 62.831 33.489 29.342 1
1 1743 . 3 2 2 B 14 14 LYS N N 344 151.908 119.565 32.343 1
1 1744 . 3 2 2 B 15 15 GLU H H 345 8.256 7.696 0.560 1
1 1745 . 3 2 2 B 15 15 GLU HA H 345 4.240 4.425 -0.185 1
1 1750 . 3 2 2 B 15 15 GLU C C 345 176.152 176.154 -0.002 1
1 1751 . 3 2 2 B 15 15 GLU CA C 345 87.152 56.353 30.799 1
1 1752 . 3 2 2 B 15 15 GLU CB C 345 60.176 30.267 29.909 1
1 1754 . 3 2 2 B 15 15 GLU N N 345 150.679 117.866 32.813 1
1 1755 . 3 2 2 B 16 16 VAL H H 346 7.762 7.324 0.438 1
1 1756 . 3 2 2 B 16 16 VAL HA H 346 4.161 4.117 0.044 1
1 1764 . 3 2 2 B 16 16 VAL C C 346 174.646 175.919 -1.273 1
1 1765 . 3 2 2 B 16 16 VAL CA C 346 91.707 60.793 30.914 1
1 1766 . 3 2 2 B 16 16 VAL CB C 346 63.107 33.601 29.506 1
1 1769 . 3 2 2 B 16 16 VAL N N 346 146.718 116.189 30.529 1
1 9 . 4 1 1 A 2 2 MET H H 1 8.414 7.597 0.817 1
1 10 . 4 1 1 A 2 2 MET HA H 1 4.826 4.550 0.276 1
1 18 . 4 1 1 A 2 2 MET CA C 1 53.382 55.291 -1.909 1
1 19 . 4 1 1 A 2 2 MET CB C 1 32.478 32.380 0.098 1
1 22 . 4 1 1 A 2 2 MET N N 1 122.882 120.661 2.221 1
1 23 . 4 1 1 A 3 3 PRO HA H 2 4.425 4.690 -0.265 1
1 30 . 4 1 1 A 3 3 PRO C C 2 176.847 176.347 0.500 1
1 31 . 4 1 1 A 3 3 PRO CA C 2 63.386 62.397 0.989 1
1 32 . 4 1 1 A 3 3 PRO CB C 2 32.077 32.890 -0.813 1
1 35 . 4 1 1 A 4 4 SER H H 3 8.347 8.466 -0.119 1
1 36 . 4 1 1 A 4 4 SER HA H 3 4.391 5.148 -0.757 1
1 39 . 4 1 1 A 4 4 SER C C 3 174.643 173.706 0.937 1
1 40 . 4 1 1 A 4 4 SER CA C 3 58.336 56.762 1.574 1
1 41 . 4 1 1 A 4 4 SER CB C 3 63.798 66.037 -2.239 1
1 42 . 4 1 1 A 4 4 SER N N 3 115.234 114.806 0.428 1
1 43 . 4 1 1 A 5 5 GLU H H 4 8.472 8.595 -0.123 1
1 44 . 4 1 1 A 5 5 GLU HA H 4 4.297 4.845 -0.548 1
1 49 . 4 1 1 A 5 5 GLU C C 4 176.352 175.933 0.419 1
1 50 . 4 1 1 A 5 5 GLU CA C 4 56.572 55.079 1.493 1
1 51 . 4 1 1 A 5 5 GLU CB C 4 30.285 31.950 -1.665 1
1 53 . 4 1 1 A 5 5 GLU N N 4 123.045 118.890 4.155 1
1 54 . 4 1 1 A 6 6 LYS H H 5 8.214 8.284 -0.070 1
1 55 . 4 1 1 A 6 6 LYS HA H 5 4.500 4.477 0.023 1
1 64 . 4 1 1 A 6 6 LYS C C 5 177.243 175.922 1.321 1
1 65 . 4 1 1 A 6 6 LYS CA C 5 55.943 56.525 -0.582 1
1 66 . 4 1 1 A 6 6 LYS CB C 5 34.621 33.654 0.967 1
1 70 . 4 1 1 A 6 6 LYS N N 5 121.467 121.779 -0.312 1
1 71 . 4 1 1 A 7 7 THR H H 6 8.431 8.392 0.039 1
1 72 . 4 1 1 A 7 7 THR HA H 6 4.383 5.070 -0.687 1
1 77 . 4 1 1 A 7 7 THR C C 6 175.360 175.420 -0.060 1
1 78 . 4 1 1 A 7 7 THR CA C 6 61.124 59.336 1.788 1
1 79 . 4 1 1 A 7 7 THR CB C 6 69.863 71.861 -1.998 1
1 81 . 4 1 1 A 7 7 THR N N 6 114.691 111.344 3.347 1
1 82 . 4 1 1 A 8 8 PHE H H 7 10.194 9.593 0.601 1
1 83 . 4 1 1 A 8 8 PHE HA H 7 3.904 4.173 -0.269 1
1 88 . 4 1 1 A 8 8 PHE C C 7 177.000 177.185 -0.185 1
1 89 . 4 1 1 A 8 8 PHE CA C 7 63.388 62.074 1.314 1
1 90 . 4 1 1 A 8 8 PHE CB C 7 39.586 39.556 0.030 1
1 92 . 4 1 1 A 8 8 PHE N N 7 124.861 123.316 1.545 1
1 93 . 4 1 1 A 9 9 LYS H H 8 8.707 8.369 0.338 1
1 94 . 4 1 1 A 9 9 LYS HA H 8 3.761 4.204 -0.443 1
1 103 . 4 1 1 A 9 9 LYS C C 8 177.496 179.162 -1.666 1
1 104 . 4 1 1 A 9 9 LYS CA C 8 59.945 59.283 0.662 1
1 105 . 4 1 1 A 9 9 LYS CB C 8 33.870 32.249 1.621 1
1 109 . 4 1 1 A 9 9 LYS N N 8 114.189 118.195 -4.006 1
1 110 . 4 1 1 A 10 10 GLN H H 9 7.284 8.057 -0.773 1
1 111 . 4 1 1 A 10 10 GLN HA H 9 4.113 4.165 -0.052 1
1 118 . 4 1 1 A 10 10 GLN C C 9 177.416 178.135 -0.719 1
1 119 . 4 1 1 A 10 10 GLN CA C 9 56.743 58.468 -1.725 1
1 120 . 4 1 1 A 10 10 GLN CB C 9 30.002 28.980 1.022 1
1 123 . 4 1 1 A 10 10 GLN N N 9 112.843 119.054 -6.211 1
1 125 . 4 1 1 A 11 11 ARG H H 10 7.889 8.494 -0.605 1
1 126 . 4 1 1 A 11 11 ARG HA H 10 4.255 3.998 0.257 1
1 133 . 4 1 1 A 11 11 ARG C C 10 175.059 176.509 -1.450 1
1 134 . 4 1 1 A 11 11 ARG CA C 10 57.018 59.277 -2.259 1
1 135 . 4 1 1 A 11 11 ARG CB C 10 31.628 30.311 1.317 1
1 138 . 4 1 1 A 11 11 ARG N N 10 117.567 120.419 -2.852 1
1 139 . 4 1 1 A 12 12 ARG H H 11 7.443 7.831 -0.388 1
1 140 . 4 1 1 A 12 12 ARG HA H 11 4.493 4.332 0.161 1
1 147 . 4 1 1 A 12 12 ARG CA C 11 54.172 55.650 -1.478 1
1 148 . 4 1 1 A 12 12 ARG CB C 11 32.857 31.049 1.808 1
1 151 . 4 1 1 A 12 12 ARG N N 11 122.786 120.328 2.458 1
1 152 . 4 1 1 A 13 13 SER HA H 12 4.403 4.532 -0.129 1
1 155 . 4 1 1 A 13 13 SER C C 12 174.222 175.348 -1.126 1
1 156 . 4 1 1 A 13 13 SER CA C 12 58.274 60.181 -1.907 1
1 157 . 4 1 1 A 13 13 SER CB C 12 64.821 63.657 1.164 1
1 158 . 4 1 1 A 14 14 PHE H H 13 9.239 9.332 -0.093 1
1 159 . 4 1 1 A 14 14 PHE HA H 13 4.035 4.154 -0.119 1
1 165 . 4 1 1 A 14 14 PHE C C 13 176.023 177.111 -1.088 1
1 166 . 4 1 1 A 14 14 PHE CA C 13 62.790 62.644 0.146 1
1 167 . 4 1 1 A 14 14 PHE CB C 13 39.580 40.118 -0.538 1
1 169 . 4 1 1 A 14 14 PHE N N 13 123.729 125.544 -1.815 1
1 170 . 4 1 1 A 15 15 GLU H H 14 9.093 8.643 0.450 1
1 171 . 4 1 1 A 15 15 GLU HA H 14 3.813 3.917 -0.104 1
1 176 . 4 1 1 A 15 15 GLU C C 14 179.549 179.093 0.456 1
1 177 . 4 1 1 A 15 15 GLU CA C 14 60.444 60.304 0.140 1
1 178 . 4 1 1 A 15 15 GLU CB C 14 28.804 29.096 -0.292 1
1 180 . 4 1 1 A 15 15 GLU N N 14 115.336 117.280 -1.944 1
1 181 . 4 1 1 A 16 16 GLN H H 15 7.752 8.433 -0.681 1
1 182 . 4 1 1 A 16 16 GLN HA H 15 4.044 4.265 -0.221 1
1 189 . 4 1 1 A 16 16 GLN C C 15 177.931 178.299 -0.368 1
1 190 . 4 1 1 A 16 16 GLN CA C 15 58.486 58.111 0.375 1
1 191 . 4 1 1 A 16 16 GLN CB C 15 29.393 28.412 0.981 1
1 194 . 4 1 1 A 16 16 GLN N N 15 119.145 118.753 0.392 1
1 196 . 4 1 1 A 17 17 ARG H H 16 8.577 8.196 0.381 1
1 197 . 4 1 1 A 17 17 ARG HA H 16 4.280 4.267 0.013 1
1 202 . 4 1 1 A 17 17 ARG C C 16 177.128 179.062 -1.934 1
1 203 . 4 1 1 A 17 17 ARG CA C 16 61.442 58.899 2.543 1
1 204 . 4 1 1 A 17 17 ARG N N 16 121.288 121.120 0.168 1
1 205 . 4 1 1 A 18 18 VAL H H 17 8.329 8.218 0.111 1
1 206 . 4 1 1 A 18 18 VAL HA H 17 3.938 3.746 0.192 1
1 214 . 4 1 1 A 18 18 VAL C C 17 179.744 178.133 1.611 1
1 215 . 4 1 1 A 18 18 VAL CA C 17 65.441 66.135 -0.694 1
1 216 . 4 1 1 A 18 18 VAL CB C 17 32.080 31.522 0.558 1
1 219 . 4 1 1 A 18 18 VAL N N 17 116.752 120.044 -3.292 1
1 220 . 4 1 1 A 19 19 GLU H H 18 7.445 7.891 -0.446 1
1 221 . 4 1 1 A 19 19 GLU HA H 18 4.270 4.099 0.171 1
1 226 . 4 1 1 A 19 19 GLU C C 18 177.625 178.699 -1.074 1
1 227 . 4 1 1 A 19 19 GLU CA C 18 58.637 59.357 -0.720 1
1 228 . 4 1 1 A 19 19 GLU CB C 18 29.398 29.181 0.217 1
1 230 . 4 1 1 A 19 19 GLU N N 18 120.323 120.363 -0.040 1
1 231 . 4 1 1 A 20 20 ASP H H 19 8.690 8.212 0.478 1
1 232 . 4 1 1 A 20 20 ASP HA H 19 4.514 4.399 0.115 1
1 235 . 4 1 1 A 20 20 ASP C C 19 179.877 178.248 1.629 1
1 236 . 4 1 1 A 20 20 ASP CA C 19 57.224 57.658 -0.434 1
1 237 . 4 1 1 A 20 20 ASP CB C 19 41.487 41.729 -0.242 1
1 238 . 4 1 1 A 20 20 ASP N N 19 120.313 120.329 -0.016 1
1 239 . 4 1 1 A 21 21 VAL H H 20 7.731 8.082 -0.351 1
1 240 . 4 1 1 A 21 21 VAL HA H 20 3.394 3.373 0.021 1
1 248 . 4 1 1 A 21 21 VAL C C 20 176.989 177.947 -0.958 1
1 249 . 4 1 1 A 21 21 VAL CA C 20 65.989 66.508 -0.519 1
1 250 . 4 1 1 A 21 21 VAL CB C 20 31.291 31.140 0.151 1
1 253 . 4 1 1 A 21 21 VAL N N 20 119.119 119.352 -0.233 1
1 254 . 4 1 1 A 22 22 ARG H H 21 8.313 7.902 0.411 1
1 255 . 4 1 1 A 22 22 ARG HA H 21 3.825 3.973 -0.148 1
1 263 . 4 1 1 A 22 22 ARG C C 21 180.178 178.786 1.392 1
1 264 . 4 1 1 A 22 22 ARG CA C 21 59.821 59.391 0.430 1
1 265 . 4 1 1 A 22 22 ARG CB C 21 30.164 30.015 0.149 1
1 269 . 4 1 1 A 22 22 ARG N N 21 120.772 121.665 -0.893 1
1 271 . 4 1 1 A 23 23 LEU H H 22 8.306 7.523 0.783 1
1 272 . 4 1 1 A 23 23 LEU HA H 22 4.076 4.052 0.024 1
1 282 . 4 1 1 A 23 23 LEU C C 22 180.221 179.773 0.448 1
1 283 . 4 1 1 A 23 23 LEU CA C 22 57.541 57.954 -0.413 1
1 284 . 4 1 1 A 23 23 LEU CB C 22 42.300 41.941 0.359 1
1 288 . 4 1 1 A 23 23 LEU N N 22 116.413 119.330 -2.917 1
1 289 . 4 1 1 A 24 24 ILE H H 23 7.864 8.262 -0.398 1
1 290 . 4 1 1 A 24 24 ILE HA H 23 4.090 3.842 0.248 1
1 300 . 4 1 1 A 24 24 ILE C C 23 177.922 178.524 -0.602 1
1 301 . 4 1 1 A 24 24 ILE CA C 23 60.190 63.893 -3.703 1
1 302 . 4 1 1 A 24 24 ILE CB C 23 38.072 37.257 0.815 1
1 306 . 4 1 1 A 24 24 ILE N N 23 121.259 119.510 1.749 1
1 307 . 4 1 1 A 25 25 ARG H H 24 8.339 8.191 0.148 1
1 308 . 4 1 1 A 25 25 ARG HA H 24 3.973 3.990 -0.017 1
1 316 . 4 1 1 A 25 25 ARG C C 24 178.479 178.198 0.281 1
1 317 . 4 1 1 A 25 25 ARG CA C 24 57.337 59.308 -1.971 1
1 318 . 4 1 1 A 25 25 ARG CB C 24 28.663 30.386 -1.723 1
1 322 . 4 1 1 A 25 25 ARG N N 24 121.816 122.288 -0.472 1
1 324 . 4 1 1 A 26 26 GLU H H 25 7.133 8.532 -1.399 1
1 325 . 4 1 1 A 26 26 GLU HA H 25 4.052 4.142 -0.090 1
1 330 . 4 1 1 A 26 26 GLU C C 25 178.158 177.470 0.688 1
1 331 . 4 1 1 A 26 26 GLU CA C 25 58.367 58.097 0.270 1
1 332 . 4 1 1 A 26 26 GLU CB C 25 29.903 29.392 0.511 1
1 334 . 4 1 1 A 26 26 GLU N N 25 116.794 118.263 -1.469 1
1 335 . 4 1 1 A 27 27 GLN H H 26 7.283 8.198 -0.915 1
1 336 . 4 1 1 A 27 27 GLN HA H 26 3.888 4.335 -0.447 1
1 343 . 4 1 1 A 27 27 GLN C C 26 176.088 175.912 0.176 1
1 344 . 4 1 1 A 27 27 GLN CA C 26 57.676 57.059 0.617 1
1 345 . 4 1 1 A 27 27 GLN CB C 26 30.382 30.493 -0.111 1
1 348 . 4 1 1 A 27 27 GLN N N 26 116.373 117.965 -1.592 1
1 350 . 4 1 1 A 28 28 HIS H H 27 8.223 8.536 -0.313 1
1 351 . 4 1 1 A 28 28 HIS HA H 27 4.941 5.084 -0.143 1
1 356 . 4 1 1 A 28 28 HIS CA C 27 53.278 53.092 0.186 1
1 357 . 4 1 1 A 28 28 HIS CB C 27 30.933 29.749 1.184 1
1 360 . 4 1 1 A 28 28 HIS N N 27 115.408 116.270 -0.862 1
1 361 . 4 1 1 A 29 29 PRO HA H 28 4.562 4.334 0.228 1
1 368 . 4 1 1 A 29 29 PRO C C 28 178.046 177.651 0.395 1
1 369 . 4 1 1 A 29 29 PRO CA C 28 64.821 64.495 0.326 1
1 370 . 4 1 1 A 29 29 PRO CB C 28 32.447 31.997 0.450 1
1 373 . 4 1 1 A 30 30 THR H H 29 7.820 7.765 0.055 1
1 374 . 4 1 1 A 30 30 THR HA H 29 4.583 4.333 0.250 1
1 379 . 4 1 1 A 30 30 THR C C 29 172.723 173.321 -0.598 1
1 380 . 4 1 1 A 30 30 THR CA C 29 60.826 61.468 -0.642 1
1 381 . 4 1 1 A 30 30 THR CB C 29 68.641 69.141 -0.500 1
1 383 . 4 1 1 A 30 30 THR N N 29 106.682 107.734 -1.052 1
1 384 . 4 1 1 A 31 31 LYS H H 30 7.453 7.490 -0.037 1
1 385 . 4 1 1 A 31 31 LYS HA H 30 4.850 4.873 -0.023 1
1 394 . 4 1 1 A 31 31 LYS C C 30 174.296 174.752 -0.456 1
1 395 . 4 1 1 A 31 31 LYS CA C 30 53.944 54.660 -0.716 1
1 396 . 4 1 1 A 31 31 LYS CB C 30 36.098 36.995 -0.897 1
1 400 . 4 1 1 A 31 31 LYS N N 30 117.809 120.241 -2.432 1
1 401 . 4 1 1 A 32 32 ILE H H 31 9.265 9.410 -0.145 1
1 402 . 4 1 1 A 32 32 ILE HA H 31 4.106 4.214 -0.108 1
1 412 . 4 1 1 A 32 32 ILE CA C 31 54.606 57.558 -2.952 1
1 413 . 4 1 1 A 32 32 ILE CB C 31 38.448 38.466 -0.018 1
1 417 . 4 1 1 A 32 32 ILE N N 31 122.497 122.452 0.045 1
1 418 . 4 1 1 A 33 33 PRO HA H 32 5.252 4.823 0.429 1
1 425 . 4 1 1 A 33 33 PRO C C 32 174.652 176.619 -1.967 1
1 426 . 4 1 1 A 33 33 PRO CA C 32 61.704 62.434 -0.730 1
1 427 . 4 1 1 A 33 33 PRO CB C 32 31.873 31.943 -0.070 1
1 430 . 4 1 1 A 34 34 VAL H H 33 9.359 8.072 1.287 1
1 431 . 4 1 1 A 34 34 VAL HA H 33 5.298 5.031 0.267 1
1 439 . 4 1 1 A 34 34 VAL C C 33 173.633 174.814 -1.181 1
1 440 . 4 1 1 A 34 34 VAL CA C 33 59.830 59.487 0.343 1
1 441 . 4 1 1 A 34 34 VAL CB C 33 36.154 36.193 -0.039 1
1 444 . 4 1 1 A 34 34 VAL N N 33 124.496 116.436 8.060 1
1 445 . 4 1 1 A 35 35 ILE H H 34 8.667 9.107 -0.440 1
1 446 . 4 1 1 A 35 35 ILE HA H 34 4.867 5.004 -0.137 1
1 456 . 4 1 1 A 35 35 ILE C C 34 175.770 174.943 0.827 1
1 457 . 4 1 1 A 35 35 ILE CA C 34 56.320 60.566 -4.246 1
1 458 . 4 1 1 A 35 35 ILE CB C 34 36.909 39.776 -2.867 1
1 462 . 4 1 1 A 35 35 ILE N N 34 127.447 121.889 5.558 1
1 463 . 4 1 1 A 36 36 ILE H H 35 8.422 8.758 -0.336 1
1 464 . 4 1 1 A 36 36 ILE HA H 35 4.890 5.040 -0.150 1
1 474 . 4 1 1 A 36 36 ILE C C 35 175.098 175.891 -0.793 1
1 475 . 4 1 1 A 36 36 ILE CA C 35 60.806 60.850 -0.044 1
1 476 . 4 1 1 A 36 36 ILE CB C 35 39.357 38.185 1.172 1
1 480 . 4 1 1 A 36 36 ILE N N 35 124.267 128.812 -4.545 1
1 481 . 4 1 1 A 37 37 GLU H H 36 8.335 8.816 -0.481 1
1 482 . 4 1 1 A 37 37 GLU HA H 36 4.820 5.081 -0.261 1
1 487 . 4 1 1 A 37 37 GLU C C 36 173.502 176.023 -2.521 1
1 488 . 4 1 1 A 37 37 GLU CA C 36 54.214 54.324 -0.110 1
1 489 . 4 1 1 A 37 37 GLU CB C 36 35.547 33.355 2.192 1
1 491 . 4 1 1 A 37 37 GLU N N 36 123.296 126.646 -3.350 1
1 492 . 4 1 1 A 38 38 ARG H H 37 8.891 8.416 0.475 1
1 493 . 4 1 1 A 38 38 ARG HA H 37 2.755 3.456 -0.701 1
1 501 . 4 1 1 A 38 38 ARG C C 37 176.165 175.355 0.810 1
1 502 . 4 1 1 A 38 38 ARG CA C 37 56.235 56.117 0.118 1
1 503 . 4 1 1 A 38 38 ARG CB C 37 31.328 30.159 1.169 1
1 507 . 4 1 1 A 38 38 ARG N N 37 123.143 122.371 0.772 1
1 509 . 4 1 1 A 39 39 TYR H H 38 8.681 7.791 0.890 1
1 510 . 4 1 1 A 39 39 TYR HA H 38 4.331 4.441 -0.110 1
1 517 . 4 1 1 A 39 39 TYR C C 38 177.064 175.265 1.799 1
1 518 . 4 1 1 A 39 39 TYR CA C 38 57.769 59.160 -1.391 1
1 519 . 4 1 1 A 39 39 TYR CB C 38 39.552 38.891 0.661 1
1 522 . 4 1 1 A 39 39 TYR N N 38 128.699 123.082 5.617 1
1 523 . 4 1 1 A 40 40 LYS H H 39 8.454 7.690 0.764 1
1 524 . 4 1 1 A 40 40 LYS HA H 39 3.841 3.977 -0.136 1
1 533 . 4 1 1 A 40 40 LYS C C 39 176.290 176.667 -0.377 1
1 534 . 4 1 1 A 40 40 LYS CA C 39 58.772 56.289 2.483 1
1 535 . 4 1 1 A 40 40 LYS CB C 39 31.738 31.441 0.297 1
1 539 . 4 1 1 A 40 40 LYS N N 39 130.022 122.866 7.156 1
1 540 . 4 1 1 A 41 41 GLY H H 40 5.457 8.409 -2.952 1
1 541 . 4 1 1 A 41 41 GLY HA2 H 40 3.306 3.990 -0.684 1
1 542 . 4 1 1 A 41 41 GLY HA3 H 40 3.999 4.038 -0.039 1
1 543 . 4 1 1 A 41 41 GLY C C 40 173.426 174.056 -0.630 1
1 544 . 4 1 1 A 41 41 GLY CA C 40 44.673 45.229 -0.556 1
1 545 . 4 1 1 A 41 41 GLY N N 40 104.628 113.038 -8.410 1
1 546 . 4 1 1 A 42 42 GLU H H 41 7.440 7.803 -0.363 1
1 547 . 4 1 1 A 42 42 GLU HA H 41 4.278 4.668 -0.390 1
1 552 . 4 1 1 A 42 42 GLU C C 41 176.306 176.630 -0.324 1
1 553 . 4 1 1 A 42 42 GLU CA C 41 56.358 55.221 1.137 1
1 554 . 4 1 1 A 42 42 GLU CB C 41 31.014 31.413 -0.399 1
1 556 . 4 1 1 A 42 42 GLU N N 41 122.648 120.643 2.005 1
1 557 . 4 1 1 A 43 43 LYS H H 42 8.912 8.445 0.467 1
1 558 . 4 1 1 A 43 43 LYS HA H 42 4.680 4.583 0.097 1
1 567 . 4 1 1 A 43 43 LYS C C 42 177.063 178.510 -1.447 1
1 568 . 4 1 1 A 43 43 LYS CA C 42 55.652 56.886 -1.234 1
1 569 . 4 1 1 A 43 43 LYS CB C 42 34.871 34.077 0.794 1
1 573 . 4 1 1 A 43 43 LYS N N 42 123.569 123.223 0.346 1
1 574 . 4 1 1 A 44 44 GLN H H 43 8.446 8.147 0.299 1
1 575 . 4 1 1 A 44 44 GLN HA H 43 4.545 4.070 0.475 1
1 582 . 4 1 1 A 44 44 GLN C C 43 177.152 177.115 0.037 1
1 583 . 4 1 1 A 44 44 GLN CA C 43 57.561 58.602 -1.041 1
1 584 . 4 1 1 A 44 44 GLN CB C 43 30.671 28.814 1.857 1
1 587 . 4 1 1 A 44 44 GLN N N 43 118.990 118.843 0.147 1
1 589 . 4 1 1 A 45 45 LEU H H 44 9.043 8.066 0.977 1
1 590 . 4 1 1 A 45 45 LEU HA H 44 4.716 4.514 0.202 1
1 600 . 4 1 1 A 45 45 LEU CA C 44 53.078 53.872 -0.794 1
1 601 . 4 1 1 A 45 45 LEU CB C 44 43.614 41.712 1.902 1
1 605 . 4 1 1 A 45 45 LEU N N 44 120.375 120.550 -0.175 1
1 606 . 4 1 1 A 46 46 PRO HA H 45 4.723 4.652 0.071 1
1 613 . 4 1 1 A 46 46 PRO C C 45 175.883 176.147 -0.264 1
1 614 . 4 1 1 A 46 46 PRO CA C 45 62.005 62.266 -0.261 1
1 615 . 4 1 1 A 46 46 PRO CB C 45 32.609 32.433 0.176 1
1 618 . 4 1 1 A 47 47 VAL H H 46 8.437 8.492 -0.055 1
1 619 . 4 1 1 A 47 47 VAL HA H 46 3.914 4.436 -0.522 1
1 627 . 4 1 1 A 47 47 VAL C C 46 175.367 176.148 -0.781 1
1 628 . 4 1 1 A 47 47 VAL CA C 46 62.700 62.039 0.661 1
1 629 . 4 1 1 A 47 47 VAL CB C 46 32.927 31.460 1.467 1
1 632 . 4 1 1 A 47 47 VAL N N 46 118.440 121.634 -3.194 1
1 633 . 4 1 1 A 48 48 LEU H H 47 7.863 8.613 -0.750 1
1 634 . 4 1 1 A 48 48 LEU HA H 47 4.384 4.116 0.268 1
1 644 . 4 1 1 A 48 48 LEU C C 47 176.088 177.840 -1.752 1
1 645 . 4 1 1 A 48 48 LEU CA C 47 54.851 55.956 -1.105 1
1 646 . 4 1 1 A 48 48 LEU CB C 47 43.841 44.081 -0.240 1
1 650 . 4 1 1 A 48 48 LEU N N 47 129.127 129.312 -0.185 1
1 651 . 4 1 1 A 49 49 ASP H H 48 8.699 8.891 -0.192 1
1 652 . 4 1 1 A 49 49 ASP HA H 48 4.293 4.327 -0.034 1
1 655 . 4 1 1 A 49 49 ASP C C 48 175.121 175.778 -0.657 1
1 656 . 4 1 1 A 49 49 ASP CA C 48 55.717 57.609 -1.892 1
1 657 . 4 1 1 A 49 49 ASP CB C 48 40.260 40.934 -0.674 1
1 658 . 4 1 1 A 49 49 ASP N N 48 121.389 125.370 -3.981 1
1 659 . 4 1 1 A 50 50 LYS H H 49 7.251 7.678 -0.427 1
1 660 . 4 1 1 A 50 50 LYS HA H 49 4.540 4.737 -0.197 1
1 669 . 4 1 1 A 50 50 LYS C C 49 174.664 176.313 -1.649 1
1 670 . 4 1 1 A 50 50 LYS CA C 49 53.211 54.409 -1.198 1
1 671 . 4 1 1 A 50 50 LYS CB C 49 35.514 35.897 -0.383 1
1 675 . 4 1 1 A 50 50 LYS N N 49 118.260 116.188 2.072 1
1 676 . 4 1 1 A 51 51 THR H H 50 8.162 8.273 -0.111 1
1 677 . 4 1 1 A 51 51 THR HA H 50 4.685 4.806 -0.121 1
1 682 . 4 1 1 A 51 51 THR C C 50 171.631 174.703 -3.072 1
1 683 . 4 1 1 A 51 51 THR CA C 50 63.581 63.306 0.275 1
1 684 . 4 1 1 A 51 51 THR CB C 50 71.587 70.256 1.331 1
1 686 . 4 1 1 A 51 51 THR N N 50 112.535 114.060 -1.525 1
1 687 . 4 1 1 A 52 52 LYS H H 51 6.971 7.537 -0.566 1
1 688 . 4 1 1 A 52 52 LYS HA H 51 4.443 4.933 -0.490 1
1 697 . 4 1 1 A 52 52 LYS C C 51 175.417 175.818 -0.401 1
1 698 . 4 1 1 A 52 52 LYS CA C 51 55.209 55.225 -0.016 1
1 699 . 4 1 1 A 52 52 LYS CB C 51 33.309 34.124 -0.815 1
1 703 . 4 1 1 A 52 52 LYS N N 51 120.227 119.476 0.751 1
1 704 . 4 1 1 A 53 53 PHE H H 52 9.688 8.938 0.750 1
1 705 . 4 1 1 A 53 53 PHE HA H 52 5.675 4.976 0.699 1
1 712 . 4 1 1 A 53 53 PHE C C 52 174.348 174.618 -0.270 1
1 713 . 4 1 1 A 53 53 PHE CA C 52 56.625 56.658 -0.033 1
1 714 . 4 1 1 A 53 53 PHE CB C 52 43.109 43.309 -0.200 1
1 716 . 4 1 1 A 53 53 PHE N N 52 124.646 121.497 3.149 1
1 717 . 4 1 1 A 54 54 LEU H H 53 8.470 9.085 -0.615 1
1 718 . 4 1 1 A 54 54 LEU HA H 53 5.044 4.840 0.204 1
1 728 . 4 1 1 A 54 54 LEU C C 53 176.144 175.767 0.377 1
1 729 . 4 1 1 A 54 54 LEU CA C 53 52.954 53.300 -0.346 1
1 730 . 4 1 1 A 54 54 LEU CB C 53 45.081 42.222 2.859 1
1 734 . 4 1 1 A 54 54 LEU N N 53 119.430 124.049 -4.619 1
1 735 . 4 1 1 A 55 55 VAL H H 54 8.802 8.658 0.144 1
1 736 . 4 1 1 A 55 55 VAL HA H 54 4.640 4.577 0.063 1
1 744 . 4 1 1 A 55 55 VAL CA C 54 58.549 59.570 -1.021 1
1 745 . 4 1 1 A 55 55 VAL CB C 54 35.342 31.966 3.376 1
1 748 . 4 1 1 A 55 55 VAL N N 54 123.841 126.035 -2.194 1
1 749 . 4 1 1 A 56 56 PRO HA H 55 4.439 4.682 -0.243 1
1 756 . 4 1 1 A 56 56 PRO C C 55 176.666 176.553 0.113 1
1 757 . 4 1 1 A 56 56 PRO CA C 55 64.256 62.545 1.711 1
1 758 . 4 1 1 A 56 56 PRO CB C 55 32.783 32.217 0.566 1
1 761 . 4 1 1 A 57 57 ASP H H 56 8.412 7.869 0.543 1
1 762 . 4 1 1 A 57 57 ASP HA H 56 3.848 4.614 -0.766 1
1 765 . 4 1 1 A 57 57 ASP C C 56 175.417 176.673 -1.256 1
1 766 . 4 1 1 A 57 57 ASP CA C 56 56.616 53.785 2.831 1
1 767 . 4 1 1 A 57 57 ASP CB C 56 40.410 40.343 0.067 1
1 768 . 4 1 1 A 57 57 ASP N N 56 120.415 122.124 -1.709 1
1 769 . 4 1 1 A 58 58 HIS H H 57 7.373 7.986 -0.613 1
1 770 . 4 1 1 A 58 58 HIS HA H 57 4.770 4.873 -0.103 1
1 775 . 4 1 1 A 58 58 HIS C C 57 176.594 174.114 2.480 1
1 776 . 4 1 1 A 58 58 HIS CA C 57 55.584 55.217 0.367 1
1 777 . 4 1 1 A 58 58 HIS CB C 57 30.628 31.381 -0.753 1
1 780 . 4 1 1 A 58 58 HIS N N 57 113.439 114.452 -1.013 1
1 781 . 4 1 1 A 59 59 VAL H H 58 7.249 7.724 -0.475 1
1 782 . 4 1 1 A 59 59 VAL HA H 58 3.903 4.835 -0.932 1
1 790 . 4 1 1 A 59 59 VAL C C 58 175.014 173.785 1.229 1
1 791 . 4 1 1 A 59 59 VAL CA C 58 62.726 59.006 3.720 1
1 792 . 4 1 1 A 59 59 VAL CB C 58 32.190 36.543 -4.353 1
1 795 . 4 1 1 A 59 59 VAL N N 58 122.597 115.945 6.652 1
1 796 . 4 1 1 A 60 60 ASN H H 59 8.677 8.403 0.274 1
1 797 . 4 1 1 A 60 60 ASN HA H 59 5.187 5.179 0.008 1
1 802 . 4 1 1 A 60 60 ASN C C 59 176.477 177.090 -0.613 1
1 803 . 4 1 1 A 60 60 ASN CA C 59 51.181 51.300 -0.119 1
1 804 . 4 1 1 A 60 60 ASN CB C 59 39.947 41.193 -1.246 1
1 806 . 4 1 1 A 60 60 ASN N N 59 122.962 119.146 3.816 1
1 808 . 4 1 1 A 61 61 MET H H 60 8.038 8.683 -0.645 1
1 809 . 4 1 1 A 61 61 MET HA H 60 4.426 4.210 0.216 1
1 817 . 4 1 1 A 61 61 MET C C 60 177.996 178.524 -0.528 1
1 818 . 4 1 1 A 61 61 MET CA C 60 57.118 58.247 -1.129 1
1 819 . 4 1 1 A 61 61 MET CB C 60 29.998 32.061 -2.063 1
1 822 . 4 1 1 A 61 61 MET N N 60 116.814 120.853 -4.039 1
1 823 . 4 1 1 A 62 62 SER H H 61 8.401 8.198 0.203 1
1 824 . 4 1 1 A 62 62 SER HA H 61 4.132 4.128 0.004 1
1 827 . 4 1 1 A 62 62 SER C C 61 177.255 177.200 0.055 1
1 828 . 4 1 1 A 62 62 SER CA C 61 61.559 61.474 0.085 1
1 829 . 4 1 1 A 62 62 SER CB C 61 62.430 62.996 -0.566 1
1 830 . 4 1 1 A 62 62 SER N N 61 114.109 116.452 -2.343 1
1 831 . 4 1 1 A 63 63 GLU H H 62 8.014 8.050 -0.036 1
1 832 . 4 1 1 A 63 63 GLU HA H 62 4.016 3.982 0.034 1
1 837 . 4 1 1 A 63 63 GLU C C 62 178.327 179.014 -0.687 1
1 838 . 4 1 1 A 63 63 GLU CA C 62 58.787 59.590 -0.803 1
1 839 . 4 1 1 A 63 63 GLU CB C 62 29.814 29.285 0.529 1
1 841 . 4 1 1 A 63 63 GLU N N 62 122.806 120.993 1.813 1
1 842 . 4 1 1 A 64 64 LEU H H 63 8.254 8.205 0.049 1
1 843 . 4 1 1 A 64 64 LEU HA H 63 3.932 4.006 -0.074 1
1 853 . 4 1 1 A 64 64 LEU C C 63 178.029 178.427 -0.398 1
1 854 . 4 1 1 A 64 64 LEU CA C 63 57.986 58.296 -0.310 1
1 855 . 4 1 1 A 64 64 LEU CB C 63 41.377 41.899 -0.522 1
1 859 . 4 1 1 A 64 64 LEU N N 63 120.526 121.903 -1.377 1
1 860 . 4 1 1 A 65 65 ILE H H 64 8.415 8.457 -0.042 1
1 861 . 4 1 1 A 65 65 ILE HA H 64 3.377 3.683 -0.306 1
1 871 . 4 1 1 A 65 65 ILE C C 64 177.078 177.862 -0.784 1
1 872 . 4 1 1 A 65 65 ILE CA C 64 66.699 65.705 0.994 1
1 873 . 4 1 1 A 65 65 ILE CB C 64 38.128 37.843 0.285 1
1 877 . 4 1 1 A 65 65 ILE N N 64 118.349 120.167 -1.818 1
1 878 . 4 1 1 A 66 66 LYS H H 65 7.366 8.098 -0.732 1
1 879 . 4 1 1 A 66 66 LYS HA H 65 3.696 4.020 -0.324 1
1 888 . 4 1 1 A 66 66 LYS C C 65 179.260 179.553 -0.293 1
1 889 . 4 1 1 A 66 66 LYS CA C 65 60.593 59.876 0.717 1
1 890 . 4 1 1 A 66 66 LYS CB C 65 32.421 32.421 0.000 1
1 894 . 4 1 1 A 66 66 LYS N N 65 118.334 119.128 -0.794 1
1 895 . 4 1 1 A 67 67 ILE H H 66 8.179 8.344 -0.165 1
1 896 . 4 1 1 A 67 67 ILE HA H 66 3.546 3.678 -0.132 1
1 906 . 4 1 1 A 67 67 ILE C C 66 178.784 178.601 0.183 1
1 907 . 4 1 1 A 67 67 ILE CA C 66 65.488 65.219 0.269 1
1 908 . 4 1 1 A 67 67 ILE CB C 66 38.593 37.713 0.880 1
1 912 . 4 1 1 A 67 67 ILE N N 66 119.791 120.496 -0.705 1
1 913 . 4 1 1 A 68 68 ILE H H 67 8.279 8.384 -0.105 1
1 914 . 4 1 1 A 68 68 ILE HA H 67 3.391 3.442 -0.051 1
1 924 . 4 1 1 A 68 68 ILE C C 67 177.403 177.605 -0.202 1
1 925 . 4 1 1 A 68 68 ILE CA C 67 63.144 64.904 -1.760 1
1 926 . 4 1 1 A 68 68 ILE CB C 67 35.269 37.492 -2.223 1
1 930 . 4 1 1 A 68 68 ILE N N 67 120.267 121.070 -0.803 1
1 931 . 4 1 1 A 69 69 ARG H H 68 8.454 8.196 0.258 1
1 932 . 4 1 1 A 69 69 ARG HA H 68 2.966 3.414 -0.448 1
1 939 . 4 1 1 A 69 69 ARG C C 68 178.385 177.991 0.394 1
1 940 . 4 1 1 A 69 69 ARG CA C 68 60.642 58.509 2.133 1
1 941 . 4 1 1 A 69 69 ARG CB C 68 30.442 29.714 0.728 1
1 944 . 4 1 1 A 69 69 ARG N N 68 118.881 120.255 -1.374 1
1 945 . 4 1 1 A 70 70 ARG H H 69 7.492 7.621 -0.129 1
1 946 . 4 1 1 A 70 70 ARG HA H 69 4.164 4.068 0.096 1
1 954 . 4 1 1 A 70 70 ARG C C 69 180.253 179.357 0.896 1
1 955 . 4 1 1 A 70 70 ARG CA C 69 58.510 59.443 -0.933 1
1 956 . 4 1 1 A 70 70 ARG CB C 69 29.587 30.288 -0.701 1
1 960 . 4 1 1 A 70 70 ARG N N 69 116.411 118.673 -2.262 1
1 962 . 4 1 1 A 71 71 ARG H H 70 8.086 8.092 -0.006 1
1 963 . 4 1 1 A 71 71 ARG HA H 70 4.025 4.070 -0.045 1
1 970 . 4 1 1 A 71 71 ARG C C 70 178.558 178.186 0.372 1
1 971 . 4 1 1 A 71 71 ARG CA C 70 59.428 59.047 0.381 1
1 972 . 4 1 1 A 71 71 ARG CB C 70 30.235 29.971 0.264 1
1 975 . 4 1 1 A 71 71 ARG N N 70 122.779 119.643 3.136 1
1 976 . 4 1 1 A 72 72 LEU H H 71 7.755 7.625 0.130 1
1 977 . 4 1 1 A 72 72 LEU HA H 71 4.081 4.097 -0.016 1
1 987 . 4 1 1 A 72 72 LEU C C 71 174.852 176.535 -1.683 1
1 988 . 4 1 1 A 72 72 LEU CA C 71 55.060 55.127 -0.067 1
1 989 . 4 1 1 A 72 72 LEU CB C 71 43.109 41.936 1.173 1
1 993 . 4 1 1 A 72 72 LEU N N 71 116.551 117.665 -1.114 1
1 994 . 4 1 1 A 73 73 GLN H H 72 7.740 7.977 -0.237 1
1 995 . 4 1 1 A 73 73 GLN HA H 72 3.853 3.952 -0.099 1
1 1002 . 4 1 1 A 73 73 GLN C C 72 175.619 174.870 0.749 1
1 1003 . 4 1 1 A 73 73 GLN CA C 72 56.273 56.543 -0.270 1
1 1004 . 4 1 1 A 73 73 GLN CB C 72 25.939 26.428 -0.489 1
1 1007 . 4 1 1 A 73 73 GLN N N 72 114.737 117.864 -3.127 1
1 1009 . 4 1 1 A 74 74 LEU H H 73 7.525 7.469 0.056 1
1 1010 . 4 1 1 A 74 74 LEU HA H 73 4.242 4.396 -0.154 1
1 1020 . 4 1 1 A 74 74 LEU C C 73 178.611 175.768 2.843 1
1 1021 . 4 1 1 A 74 74 LEU CA C 73 54.382 54.523 -0.141 1
1 1022 . 4 1 1 A 74 74 LEU CB C 73 41.995 42.094 -0.099 1
1 1026 . 4 1 1 A 74 74 LEU N N 73 114.861 120.487 -5.626 1
1 1027 . 4 1 1 A 75 75 ASN H H 74 8.970 8.661 0.309 1
1 1028 . 4 1 1 A 75 75 ASN HA H 74 4.694 5.072 -0.378 1
1 1033 . 4 1 1 A 75 75 ASN C C 74 176.527 175.920 0.607 1
1 1034 . 4 1 1 A 75 75 ASN CA C 74 52.686 51.443 1.243 1
1 1035 . 4 1 1 A 75 75 ASN CB C 74 39.583 41.316 -1.733 1
1 1037 . 4 1 1 A 75 75 ASN N N 74 121.274 117.807 3.467 1
1 1039 . 4 1 1 A 76 76 ALA H H 75 8.697 8.532 0.165 1
1 1040 . 4 1 1 A 76 76 ALA HA H 75 3.966 4.035 -0.069 1
1 1044 . 4 1 1 A 76 76 ALA C C 75 178.002 179.577 -1.575 1
1 1045 . 4 1 1 A 76 76 ALA CA C 75 54.797 55.347 -0.550 1
1 1046 . 4 1 1 A 76 76 ALA CB C 75 18.669 18.069 0.600 1
1 1047 . 4 1 1 A 76 76 ALA N N 75 123.590 120.994 2.596 1
1 1048 . 4 1 1 A 77 77 ASN H H 76 8.344 8.336 0.008 1
1 1049 . 4 1 1 A 77 77 ASN HA H 76 4.585 4.478 0.107 1
1 1054 . 4 1 1 A 77 77 ASN C C 76 175.371 176.052 -0.681 1
1 1055 . 4 1 1 A 77 77 ASN CA C 76 53.183 56.370 -3.187 1
1 1056 . 4 1 1 A 77 77 ASN CB C 76 38.277 39.236 -0.959 1
1 1058 . 4 1 1 A 77 77 ASN N N 76 112.004 117.281 -5.277 1
1 1060 . 4 1 1 A 78 78 GLN H H 77 7.532 7.585 -0.053 1
1 1061 . 4 1 1 A 78 78 GLN HA H 77 4.281 4.554 -0.273 1
1 1068 . 4 1 1 A 78 78 GLN C C 77 175.001 174.783 0.218 1
1 1069 . 4 1 1 A 78 78 GLN CA C 77 55.875 55.602 0.273 1
1 1070 . 4 1 1 A 78 78 GLN CB C 77 30.227 29.913 0.314 1
1 1073 . 4 1 1 A 78 78 GLN N N 77 120.237 119.066 1.171 1
1 1075 . 4 1 1 A 79 79 ALA H H 78 8.732 8.723 0.009 1
1 1076 . 4 1 1 A 79 79 ALA HA H 78 4.183 5.118 -0.935 1
1 1080 . 4 1 1 A 79 79 ALA C C 78 176.367 176.386 -0.019 1
1 1081 . 4 1 1 A 79 79 ALA CA C 78 52.798 51.204 1.594 1
1 1082 . 4 1 1 A 79 79 ALA CB C 78 20.051 21.063 -1.012 1
1 1083 . 4 1 1 A 79 79 ALA N N 78 130.399 129.249 1.150 1
1 1084 . 4 1 1 A 80 80 PHE H H 79 7.603 8.479 -0.876 1
1 1085 . 4 1 1 A 80 80 PHE HA H 79 4.449 5.208 -0.759 1
1 1093 . 4 1 1 A 80 80 PHE C C 79 171.709 173.002 -1.293 1
1 1094 . 4 1 1 A 80 80 PHE CA C 79 59.101 57.258 1.843 1
1 1095 . 4 1 1 A 80 80 PHE CB C 79 42.282 42.672 -0.390 1
1 1099 . 4 1 1 A 80 80 PHE N N 79 118.988 122.215 -3.227 1
1 1100 . 4 1 1 A 81 81 PHE H H 80 8.507 9.205 -0.698 1
1 1101 . 4 1 1 A 81 81 PHE HA H 80 4.421 4.478 -0.057 1
1 1109 . 4 1 1 A 81 81 PHE C C 80 172.644 173.804 -1.160 1
1 1110 . 4 1 1 A 81 81 PHE CA C 80 56.711 55.889 0.822 1
1 1111 . 4 1 1 A 81 81 PHE CB C 80 41.880 42.760 -0.880 1
1 1115 . 4 1 1 A 81 81 PHE N N 80 126.042 124.801 1.241 1
1 1116 . 4 1 1 A 82 82 LEU H H 81 8.199 8.656 -0.457 1
1 1117 . 4 1 1 A 82 82 LEU HA H 81 4.883 4.942 -0.059 1
1 1127 . 4 1 1 A 82 82 LEU C C 81 174.440 174.685 -0.245 1
1 1128 . 4 1 1 A 82 82 LEU CA C 81 53.153 54.151 -0.998 1
1 1129 . 4 1 1 A 82 82 LEU CB C 81 45.520 43.413 2.107 1
1 1133 . 4 1 1 A 82 82 LEU N N 81 121.512 125.503 -3.991 1
1 1134 . 4 1 1 A 83 83 LEU H H 82 9.349 9.898 -0.549 1
1 1135 . 4 1 1 A 83 83 LEU HA H 82 4.810 5.067 -0.257 1
1 1145 . 4 1 1 A 83 83 LEU C C 82 177.075 175.574 1.501 1
1 1146 . 4 1 1 A 83 83 LEU CA C 82 54.122 53.433 0.689 1
1 1147 . 4 1 1 A 83 83 LEU CB C 82 43.394 42.402 0.992 1
1 1151 . 4 1 1 A 83 83 LEU N N 82 125.253 128.862 -3.609 1
1 1152 . 4 1 1 A 84 84 VAL H H 83 8.681 9.064 -0.383 1
1 1153 . 4 1 1 A 84 84 VAL HA H 83 4.411 4.256 0.155 1
1 1161 . 4 1 1 A 84 84 VAL C C 83 175.797 176.107 -0.310 1
1 1162 . 4 1 1 A 84 84 VAL CA C 83 61.630 61.706 -0.076 1
1 1163 . 4 1 1 A 84 84 VAL CB C 83 33.647 31.375 2.272 1
1 1166 . 4 1 1 A 84 84 VAL N N 83 123.543 125.135 -1.592 1
1 1167 . 4 1 1 A 85 85 ASN H H 84 9.622 9.322 0.300 1
1 1168 . 4 1 1 A 85 85 ASN HA H 84 4.399 4.627 -0.228 1
1 1173 . 4 1 1 A 85 85 ASN C C 84 175.042 174.999 0.043 1
1 1174 . 4 1 1 A 85 85 ASN CA C 84 54.610 54.176 0.434 1
1 1175 . 4 1 1 A 85 85 ASN CB C 84 37.927 36.852 1.075 1
1 1177 . 4 1 1 A 85 85 ASN N N 84 125.848 127.280 -1.432 1
1 1179 . 4 1 1 A 86 86 GLY H H 85 8.551 8.335 0.216 1
1 1180 . 4 1 1 A 86 86 GLY HA2 H 85 3.368 3.918 -0.550 1
1 1181 . 4 1 1 A 86 86 GLY HA3 H 85 4.064 3.936 0.128 1
1 1182 . 4 1 1 A 86 86 GLY C C 85 173.524 173.590 -0.066 1
1 1183 . 4 1 1 A 86 86 GLY CA C 85 45.588 45.292 0.296 1
1 1184 . 4 1 1 A 86 86 GLY N N 85 101.093 104.979 -3.886 1
1 1185 . 4 1 1 A 87 87 HIS H H 86 7.906 7.351 0.555 1
1 1186 . 4 1 1 A 87 87 HIS HA H 86 5.003 5.198 -0.195 1
1 1191 . 4 1 1 A 87 87 HIS C C 86 173.910 174.296 -0.386 1
1 1192 . 4 1 1 A 87 87 HIS CA C 86 54.213 53.664 0.549 1
1 1193 . 4 1 1 A 87 87 HIS CB C 86 31.482 32.925 -1.443 1
1 1196 . 4 1 1 A 87 87 HIS N N 86 117.253 115.536 1.717 1
1 1197 . 4 1 1 A 88 88 SER H H 87 8.846 8.956 -0.110 1
1 1198 . 4 1 1 A 88 88 SER HA H 87 4.702 4.471 0.231 1
1 1201 . 4 1 1 A 88 88 SER C C 87 175.739 175.187 0.552 1
1 1202 . 4 1 1 A 88 88 SER CA C 87 58.245 58.116 0.129 1
1 1203 . 4 1 1 A 88 88 SER CB C 87 63.764 64.921 -1.157 1
1 1204 . 4 1 1 A 88 88 SER N N 87 117.469 115.280 2.189 1
1 1205 . 4 1 1 A 89 89 MET H H 88 9.174 8.461 0.713 1
1 1206 . 4 1 1 A 89 89 MET HA H 88 4.820 4.945 -0.125 1
1 1214 . 4 1 1 A 89 89 MET C C 88 176.294 177.011 -0.717 1
1 1215 . 4 1 1 A 89 89 MET CA C 88 54.853 54.025 0.828 1
1 1216 . 4 1 1 A 89 89 MET CB C 88 33.183 32.053 1.130 1
1 1219 . 4 1 1 A 89 89 MET N N 88 125.111 118.348 6.763 1
1 1220 . 4 1 1 A 90 90 VAL H H 89 8.217 8.099 0.118 1
1 1221 . 4 1 1 A 90 90 VAL HA H 89 4.063 3.849 0.214 1
1 1229 . 4 1 1 A 90 90 VAL C C 89 176.249 176.174 0.075 1
1 1230 . 4 1 1 A 90 90 VAL CA C 89 63.377 65.137 -1.760 1
1 1231 . 4 1 1 A 90 90 VAL CB C 89 32.473 31.426 1.047 1
1 1234 . 4 1 1 A 90 90 VAL N N 89 120.477 120.751 -0.274 1
1 1235 . 4 1 1 A 91 91 SER H H 90 8.356 8.004 0.352 1
1 1236 . 4 1 1 A 91 91 SER HA H 90 4.614 5.003 -0.389 1
1 1239 . 4 1 1 A 91 91 SER C C 90 175.841 172.257 3.584 1
1 1240 . 4 1 1 A 91 91 SER CA C 90 57.860 57.760 0.100 1
1 1241 . 4 1 1 A 91 91 SER CB C 90 63.398 63.916 -0.518 1
1 1242 . 4 1 1 A 91 91 SER N N 90 116.676 116.940 -0.264 1
1 1243 . 4 1 1 A 92 92 VAL H H 91 8.158 8.947 -0.789 1
1 1244 . 4 1 1 A 92 92 VAL HA H 91 4.245 4.693 -0.448 1
1 1252 . 4 1 1 A 92 92 VAL C C 91 175.856 175.498 0.358 1
1 1253 . 4 1 1 A 92 92 VAL CA C 91 63.121 61.403 1.718 1
1 1254 . 4 1 1 A 92 92 VAL CB C 91 31.872 32.959 -1.087 1
1 1257 . 4 1 1 A 92 92 VAL N N 91 119.994 127.950 -7.956 1
1 1258 . 4 1 1 A 93 93 SER H H 92 8.368 8.847 -0.479 1
1 1259 . 4 1 1 A 93 93 SER HA H 92 4.581 4.758 -0.177 1
1 1262 . 4 1 1 A 93 93 SER C C 92 174.154 173.494 0.660 1
1 1263 . 4 1 1 A 93 93 SER CA C 92 57.706 57.294 0.412 1
1 1264 . 4 1 1 A 93 93 SER CB C 92 63.126 64.122 -0.996 1
1 1265 . 4 1 1 A 93 93 SER N N 92 116.504 126.384 -9.880 1
1 1266 . 4 1 1 A 94 94 THR H H 93 7.427 7.518 -0.091 1
1 1267 . 4 1 1 A 94 94 THR HA H 93 4.464 4.655 -0.191 1
1 1272 . 4 1 1 A 94 94 THR CA C 93 61.032 59.199 1.833 1
1 1273 . 4 1 1 A 94 94 THR CB C 93 70.505 71.612 -1.107 1
1 1275 . 4 1 1 A 94 94 THR N N 93 119.172 115.784 3.388 1
1 1276 . 4 1 1 A 95 95 PRO HA H 94 4.426 4.715 -0.289 1
1 1283 . 4 1 1 A 95 95 PRO C C 94 178.692 178.000 0.692 1
1 1284 . 4 1 1 A 95 95 PRO CA C 94 62.921 62.680 0.241 1
1 1285 . 4 1 1 A 95 95 PRO CB C 94 32.774 32.586 0.188 1
1 1288 . 4 1 1 A 96 96 ILE H H 95 9.324 9.034 0.290 1
1 1289 . 4 1 1 A 96 96 ILE HA H 95 3.956 4.005 -0.049 1
1 1299 . 4 1 1 A 96 96 ILE C C 95 176.415 176.927 -0.512 1
1 1300 . 4 1 1 A 96 96 ILE CA C 95 63.880 63.511 0.369 1
1 1301 . 4 1 1 A 96 96 ILE CB C 95 38.055 38.013 0.042 1
1 1305 . 4 1 1 A 96 96 ILE N N 95 123.862 125.475 -1.613 1
1 1306 . 4 1 1 A 97 97 SER H H 96 8.211 8.423 -0.212 1
1 1307 . 4 1 1 A 97 97 SER HA H 96 3.978 4.077 -0.099 1
1 1310 . 4 1 1 A 97 97 SER C C 96 176.494 177.316 -0.822 1
1 1311 . 4 1 1 A 97 97 SER CA C 96 61.576 61.405 0.171 1
1 1312 . 4 1 1 A 97 97 SER CB C 96 61.262 62.303 -1.041 1
1 1313 . 4 1 1 A 97 97 SER N N 96 116.529 117.418 -0.889 1
1 1314 . 4 1 1 A 98 98 GLU H H 97 7.329 7.905 -0.576 1
1 1315 . 4 1 1 A 98 98 GLU HA H 97 4.290 4.237 0.053 1
1 1320 . 4 1 1 A 98 98 GLU C C 97 179.288 178.882 0.406 1
1 1321 . 4 1 1 A 98 98 GLU CA C 97 58.705 59.186 -0.481 1
1 1322 . 4 1 1 A 98 98 GLU CB C 97 29.791 30.309 -0.518 1
1 1324 . 4 1 1 A 98 98 GLU N N 97 122.955 122.912 0.043 1
1 1325 . 4 1 1 A 99 99 VAL H H 98 7.386 8.328 -0.942 1
1 1326 . 4 1 1 A 99 99 VAL HA H 98 3.815 3.757 0.058 1
1 1334 . 4 1 1 A 99 99 VAL C C 98 177.662 177.971 -0.309 1
1 1335 . 4 1 1 A 99 99 VAL CA C 98 65.774 66.125 -0.351 1
1 1336 . 4 1 1 A 99 99 VAL CB C 98 32.047 31.701 0.346 1
1 1339 . 4 1 1 A 99 99 VAL N N 98 120.888 120.731 0.157 1
1 1340 . 4 1 1 A 100 100 TYR H H 99 8.984 7.736 1.248 1
1 1341 . 4 1 1 A 100 100 TYR HA H 99 4.013 4.280 -0.267 1
1 1348 . 4 1 1 A 100 100 TYR C C 99 176.355 178.165 -1.810 1
1 1349 . 4 1 1 A 100 100 TYR CA C 99 62.118 60.962 1.156 1
1 1350 . 4 1 1 A 100 100 TYR CB C 99 38.921 38.453 0.468 1
1 1353 . 4 1 1 A 100 100 TYR N N 99 118.874 120.750 -1.876 1
1 1354 . 4 1 1 A 101 101 GLU H H 100 7.433 8.787 -1.354 1
1 1355 . 4 1 1 A 101 101 GLU HA H 100 3.833 4.234 -0.401 1
1 1360 . 4 1 1 A 101 101 GLU C C 100 177.674 176.842 0.832 1
1 1361 . 4 1 1 A 101 101 GLU CA C 100 58.895 58.101 0.794 1
1 1362 . 4 1 1 A 101 101 GLU CB C 100 29.577 28.783 0.794 1
1 1364 . 4 1 1 A 101 101 GLU N N 100 114.383 117.667 -3.284 1
1 1365 . 4 1 1 A 102 102 SER H H 101 7.423 7.997 -0.574 1
1 1366 . 4 1 1 A 102 102 SER HA H 101 4.552 4.721 -0.169 1
1 1369 . 4 1 1 A 102 102 SER C C 101 176.554 174.735 1.819 1
1 1370 . 4 1 1 A 102 102 SER CA C 101 60.200 58.406 1.794 1
1 1371 . 4 1 1 A 102 102 SER CB C 101 64.828 64.236 0.592 1
1 1372 . 4 1 1 A 102 102 SER N N 101 108.722 115.266 -6.544 1
1 1373 . 4 1 1 A 103 103 GLU H H 102 8.488 7.783 0.705 1
1 1374 . 4 1 1 A 103 103 GLU HA H 102 4.752 4.505 0.247 1
1 1379 . 4 1 1 A 103 103 GLU C C 102 176.653 176.341 0.312 1
1 1380 . 4 1 1 A 103 103 GLU CA C 102 55.464 57.364 -1.900 1
1 1381 . 4 1 1 A 103 103 GLU CB C 102 30.611 32.176 -1.565 1
1 1383 . 4 1 1 A 103 103 GLU N N 102 116.116 118.671 -2.555 1
1 1384 . 4 1 1 A 104 104 ARG H H 103 7.511 7.653 -0.142 1
1 1385 . 4 1 1 A 104 104 ARG HA H 103 4.241 4.126 0.115 1
1 1392 . 4 1 1 A 104 104 ARG C C 103 174.634 174.912 -0.278 1
1 1393 . 4 1 1 A 104 104 ARG CA C 103 56.926 56.131 0.795 1
1 1394 . 4 1 1 A 104 104 ARG CB C 103 29.713 29.845 -0.132 1
1 1397 . 4 1 1 A 104 104 ARG N N 103 117.180 118.145 -0.965 1
1 1398 . 4 1 1 A 105 105 ASP H H 104 9.069 8.085 0.984 1
1 1399 . 4 1 1 A 105 105 ASP HA H 104 4.774 4.965 -0.191 1
1 1402 . 4 1 1 A 105 105 ASP C C 104 177.460 176.522 0.938 1
1 1403 . 4 1 1 A 105 105 ASP CA C 104 53.852 51.947 1.905 1
1 1404 . 4 1 1 A 105 105 ASP CB C 104 43.424 44.134 -0.710 1
1 1405 . 4 1 1 A 105 105 ASP N N 104 123.349 122.720 0.629 1
1 1406 . 4 1 1 A 106 106 GLU H H 105 8.982 8.877 0.105 1
1 1407 . 4 1 1 A 106 106 GLU HA H 105 4.199 4.002 0.197 1
1 1412 . 4 1 1 A 106 106 GLU C C 105 177.398 178.104 -0.706 1
1 1413 . 4 1 1 A 106 106 GLU CA C 105 59.413 59.446 -0.033 1
1 1414 . 4 1 1 A 106 106 GLU CB C 105 29.983 29.303 0.680 1
1 1416 . 4 1 1 A 106 106 GLU N N 105 125.197 123.527 1.670 1
1 1417 . 4 1 1 A 107 107 ASP H H 106 9.873 8.025 1.848 1
1 1418 . 4 1 1 A 107 107 ASP HA H 106 4.211 4.276 -0.065 1
1 1421 . 4 1 1 A 107 107 ASP C C 106 175.775 176.809 -1.034 1
1 1422 . 4 1 1 A 107 107 ASP CA C 106 54.698 54.920 -0.222 1
1 1423 . 4 1 1 A 107 107 ASP CB C 106 40.187 41.646 -1.459 1
1 1424 . 4 1 1 A 107 107 ASP N N 106 118.717 116.684 2.033 1
1 1425 . 4 1 1 A 108 108 GLY H H 107 7.971 7.997 -0.026 1
1 1426 . 4 1 1 A 108 108 GLY HA2 H 107 3.431 3.853 -0.422 1
1 1427 . 4 1 1 A 108 108 GLY HA3 H 107 4.526 3.904 0.622 1
1 1428 . 4 1 1 A 108 108 GLY C C 107 175.138 174.180 0.958 1
1 1429 . 4 1 1 A 108 108 GLY CA C 107 45.029 45.455 -0.426 1
1 1430 . 4 1 1 A 108 108 GLY N N 107 105.017 108.854 -3.837 1
1 1431 . 4 1 1 A 109 109 PHE H H 108 9.799 8.192 1.607 1
1 1432 . 4 1 1 A 109 109 PHE HA H 108 4.607 4.651 -0.044 1
1 1440 . 4 1 1 A 109 109 PHE C C 108 175.171 174.994 0.177 1
1 1441 . 4 1 1 A 109 109 PHE CA C 108 60.222 56.944 3.278 1
1 1442 . 4 1 1 A 109 109 PHE CB C 108 40.433 41.282 -0.849 1
1 1446 . 4 1 1 A 109 109 PHE N N 108 123.309 118.548 4.761 1
1 1447 . 4 1 1 A 110 110 LEU H H 109 8.061 8.551 -0.490 1
1 1448 . 4 1 1 A 110 110 LEU HA H 109 5.022 4.371 0.651 1
1 1458 . 4 1 1 A 110 110 LEU C C 109 174.033 175.991 -1.958 1
1 1459 . 4 1 1 A 110 110 LEU CA C 109 53.539 54.856 -1.317 1
1 1460 . 4 1 1 A 110 110 LEU CB C 109 45.284 42.344 2.940 1
1 1464 . 4 1 1 A 110 110 LEU N N 109 119.999 125.064 -5.065 1
1 1465 . 4 1 1 A 111 111 TYR H H 110 9.363 9.248 0.115 1
1 1466 . 4 1 1 A 111 111 TYR HA H 110 4.906 5.028 -0.122 1
1 1473 . 4 1 1 A 111 111 TYR C C 110 176.538 174.845 1.693 1
1 1474 . 4 1 1 A 111 111 TYR CA C 110 59.335 56.677 2.658 1
1 1475 . 4 1 1 A 111 111 TYR CB C 110 39.485 39.906 -0.421 1
1 1478 . 4 1 1 A 111 111 TYR N N 110 126.322 123.995 2.327 1
1 1479 . 4 1 1 A 112 112 MET H H 111 9.496 8.467 1.029 1
1 1480 . 4 1 1 A 112 112 MET HA H 111 5.522 5.276 0.246 1
1 1488 . 4 1 1 A 112 112 MET C C 111 175.676 174.278 1.398 1
1 1489 . 4 1 1 A 112 112 MET CA C 111 54.216 54.495 -0.279 1
1 1490 . 4 1 1 A 112 112 MET CB C 111 36.821 36.929 -0.108 1
1 1493 . 4 1 1 A 112 112 MET N N 111 119.003 123.813 -4.810 1
1 1494 . 4 1 1 A 113 113 VAL H H 112 8.749 8.805 -0.056 1
1 1495 . 4 1 1 A 113 113 VAL HA H 112 5.967 4.993 0.974 1
1 1503 . 4 1 1 A 113 113 VAL C C 112 174.893 175.283 -0.390 1
1 1504 . 4 1 1 A 113 113 VAL CA C 112 58.896 61.300 -2.404 1
1 1505 . 4 1 1 A 113 113 VAL CB C 112 36.149 33.543 2.606 1
1 1508 . 4 1 1 A 113 113 VAL N N 112 119.658 122.892 -3.234 1
1 1509 . 4 1 1 A 114 114 TYR H H 113 8.210 8.565 -0.355 1
1 1510 . 4 1 1 A 114 114 TYR HA H 113 6.141 6.049 0.092 1
1 1517 . 4 1 1 A 114 114 TYR C C 113 173.353 173.653 -0.300 1
1 1518 . 4 1 1 A 114 114 TYR CA C 113 54.161 54.989 -0.828 1
1 1519 . 4 1 1 A 114 114 TYR CB C 113 43.538 42.179 1.359 1
1 1522 . 4 1 1 A 114 114 TYR N N 113 118.947 123.681 -4.734 1
1 1523 . 4 1 1 A 115 115 ALA H H 114 8.483 8.804 -0.321 1
1 1524 . 4 1 1 A 115 115 ALA HA H 114 4.762 4.711 0.051 1
1 1528 . 4 1 1 A 115 115 ALA C C 114 176.033 177.026 -0.993 1
1 1529 . 4 1 1 A 115 115 ALA CA C 114 51.223 51.188 0.035 1
1 1530 . 4 1 1 A 115 115 ALA CB C 114 24.521 22.847 1.674 1
1 1531 . 4 1 1 A 115 115 ALA N N 114 119.557 121.502 -1.945 1
1 1532 . 4 1 1 A 116 116 SER H H 115 9.835 8.608 1.227 1
1 1533 . 4 1 1 A 116 116 SER HA H 115 4.497 5.091 -0.594 1
1 1536 . 4 1 1 A 116 116 SER C C 115 172.664 173.944 -1.280 1
1 1537 . 4 1 1 A 116 116 SER CA C 115 58.669 58.800 -0.131 1
1 1538 . 4 1 1 A 116 116 SER CB C 115 63.570 63.446 0.124 1
1 1539 . 4 1 1 A 116 116 SER N N 115 114.435 112.962 1.473 1
1 1540 . 4 1 1 A 117 117 GLN H H 116 7.180 7.571 -0.391 1
1 1541 . 4 1 1 A 117 117 GLN HA H 116 4.460 4.964 -0.504 1
1 1548 . 4 1 1 A 117 117 GLN C C 116 172.901 175.113 -2.212 1
1 1549 . 4 1 1 A 117 117 GLN CA C 116 53.974 55.364 -1.390 1
1 1550 . 4 1 1 A 117 117 GLN CB C 116 32.192 32.407 -0.215 1
1 1553 . 4 1 1 A 117 117 GLN N N 116 116.449 120.253 -3.804 1
1 1555 . 4 1 1 A 118 118 GLU H H 117 7.878 8.733 -0.855 1
1 1556 . 4 1 1 A 118 118 GLU HA H 117 3.259 4.626 -1.367 1
1 1561 . 4 1 1 A 118 118 GLU C C 117 175.233 176.848 -1.615 1
1 1562 . 4 1 1 A 118 118 GLU CA C 117 56.890 56.131 0.759 1
1 1563 . 4 1 1 A 118 118 GLU CB C 117 30.325 30.291 0.034 1
1 1565 . 4 1 1 A 118 118 GLU N N 117 117.687 123.425 -5.738 1
1 1566 . 4 1 1 A 119 119 THR H H 118 6.968 7.600 -0.632 1
1 1567 . 4 1 1 A 119 119 THR HA H 118 4.082 4.524 -0.442 1
1 1572 . 4 1 1 A 119 119 THR C C 118 173.134 174.746 -1.612 1
1 1573 . 4 1 1 A 119 119 THR CA C 118 60.123 59.749 0.374 1
1 1574 . 4 1 1 A 119 119 THR CB C 118 70.147 68.421 1.726 1
1 1576 . 4 1 1 A 119 119 THR N N 118 109.548 108.301 1.247 1
1 1577 . 4 1 1 A 120 120 PHE H H 119 8.138 7.718 0.420 1
1 1578 . 4 1 1 A 120 120 PHE HA H 119 4.436 4.581 -0.145 1
1 1586 . 4 1 1 A 120 120 PHE C C 119 174.902 177.085 -2.183 1
1 1587 . 4 1 1 A 120 120 PHE CA C 119 56.750 57.801 -1.051 1
1 1588 . 4 1 1 A 120 120 PHE CB C 119 39.411 40.806 -1.395 1
1 1592 . 4 1 1 A 120 120 PHE N N 119 121.777 121.133 0.644 1
1 1607 . 4 2 2 B 2 2 SER H H 332 8.471 8.113 0.358 1
1 1608 . 4 2 2 B 2 2 SER HA H 332 4.484 4.183 0.301 1
1 1611 . 4 2 2 B 2 2 SER C C 332 174.962 176.810 -1.848 1
1 1612 . 4 2 2 B 2 2 SER CA C 332 88.436 61.856 26.580 1
1 1613 . 4 2 2 B 2 2 SER CB C 332 93.927 62.768 31.159 1
1 1614 . 4 2 2 B 2 2 SER N N 332 147.261 116.826 30.435 1
1 1615 . 4 2 2 B 3 3 GLY H H 333 8.601 8.409 0.192 1
1 1616 . 4 2 2 B 3 3 GLY HA2 H 333 4.022 3.892 0.130 1
1 1617 . 4 2 2 B 3 3 GLY HA3 H 333 4.022 3.898 0.124 1
1 1618 . 4 2 2 B 3 3 GLY C C 333 174.774 174.662 0.112 1
1 1619 . 4 2 2 B 3 3 GLY CA C 333 75.465 46.742 28.723 1
1 1620 . 4 2 2 B 3 3 GLY N N 333 141.077 107.621 33.456 1
1 1621 . 4 2 2 B 4 4 GLY H H 334 8.372 8.609 -0.237 1
1 1622 . 4 2 2 B 4 4 GLY HA2 H 334 3.980 3.925 0.055 1
1 1623 . 4 2 2 B 4 4 GLY HA3 H 334 3.980 3.932 0.048 1
1 1624 . 4 2 2 B 4 4 GLY C C 334 174.758 174.585 0.173 1
1 1625 . 4 2 2 B 4 4 GLY CA C 334 75.674 46.595 29.079 1
1 1626 . 4 2 2 B 4 4 GLY N N 334 138.894 109.079 29.815 1
1 1627 . 4 2 2 B 5 5 ASP H H 335 8.429 7.561 0.868 1
1 1628 . 4 2 2 B 5 5 ASP HA H 335 4.610 5.026 -0.416 1
1 1631 . 4 2 2 B 5 5 ASP CA C 335 85.066 52.986 32.080 1
1 1632 . 4 2 2 B 5 5 ASP CB C 335 71.191 40.814 30.377 1
1 1633 . 4 2 2 B 5 5 ASP N N 335 149.637 119.288 30.349 1
1 1634 . 4 2 2 B 6 6 ASP H H 336 8.244 8.592 -0.348 1
1 1635 . 4 2 2 B 6 6 ASP HA H 336 4.559 4.291 0.268 1
1 1638 . 4 2 2 B 6 6 ASP C C 336 175.432 176.094 -0.662 1
1 1639 . 4 2 2 B 6 6 ASP CA C 336 84.708 57.746 26.962 1
1 1640 . 4 2 2 B 6 6 ASP CB C 336 71.552 41.023 30.529 1
1 1641 . 4 2 2 B 6 6 ASP N N 336 148.885 122.527 26.358 1
1 1642 . 4 2 2 B 7 7 ASP H H 337 7.803 7.719 0.084 1
1 1643 . 4 2 2 B 7 7 ASP HA H 337 4.655 5.010 -0.355 1
1 1646 . 4 2 2 B 7 7 ASP C C 337 175.362 174.703 0.659 1
1 1647 . 4 2 2 B 7 7 ASP CA C 337 83.670 53.095 30.575 1
1 1648 . 4 2 2 B 7 7 ASP CB C 337 71.933 43.712 28.221 1
1 1649 . 4 2 2 B 7 7 ASP N N 337 149.563 113.105 36.458 1
1 1650 . 4 2 2 B 8 8 TRP H H 338 8.472 8.539 -0.067 1
1 1651 . 4 2 2 B 8 8 TRP HA H 338 4.174 4.844 -0.670 1
1 1660 . 4 2 2 B 8 8 TRP C C 338 175.959 175.853 0.106 1
1 1661 . 4 2 2 B 8 8 TRP CA C 338 87.020 56.973 30.047 1
1 1662 . 4 2 2 B 8 8 TRP CB C 338 61.223 30.285 30.938 1
1 1668 . 4 2 2 B 8 8 TRP N N 338 150.172 121.259 28.913 1
1 1670 . 4 2 2 B 9 9 THR H H 339 7.994 8.540 -0.546 1
1 1671 . 4 2 2 B 9 9 THR HA H 339 4.533 4.528 0.005 1
1 1676 . 4 2 2 B 9 9 THR C C 339 174.035 173.048 0.987 1
1 1677 . 4 2 2 B 9 9 THR CA C 339 92.659 60.549 32.110 1
1 1678 . 4 2 2 B 9 9 THR CB C 339 99.436 70.768 28.668 1
1 1680 . 4 2 2 B 9 9 THR N N 339 149.503 114.829 34.674 1
1 1681 . 4 2 2 B 10 10 HIS H H 340 9.463 8.305 1.158 1
1 1682 . 4 2 2 B 10 10 HIS HA H 340 4.677 5.302 -0.625 1
1 1687 . 4 2 2 B 10 10 HIS C C 340 175.606 174.304 1.302 1
1 1688 . 4 2 2 B 10 10 HIS CA C 340 87.024 54.435 32.589 1
1 1689 . 4 2 2 B 10 10 HIS CB C 340 61.368 31.653 29.715 1
1 1692 . 4 2 2 B 10 10 HIS N N 340 159.135 121.435 37.700 1
1 1693 . 4 2 2 B 11 11 LEU H H 341 8.398 9.150 -0.752 1
1 1694 . 4 2 2 B 11 11 LEU HA H 341 4.848 4.808 0.040 1
1 1704 . 4 2 2 B 11 11 LEU C C 341 175.919 175.960 -0.041 1
1 1705 . 4 2 2 B 11 11 LEU CA C 341 83.684 54.114 29.570 1
1 1706 . 4 2 2 B 11 11 LEU CB C 341 73.601 41.234 32.367 1
1 1710 . 4 2 2 B 11 11 LEU N N 341 153.300 126.410 26.890 1
1 1711 . 4 2 2 B 12 12 SER H H 342 8.382 8.918 -0.536 1
1 1712 . 4 2 2 B 12 12 SER HA H 342 4.652 4.581 0.071 1
1 1715 . 4 2 2 B 12 12 SER C C 342 174.263 175.480 -1.217 1
1 1716 . 4 2 2 B 12 12 SER CA C 342 86.841 59.041 27.800 1
1 1717 . 4 2 2 B 12 12 SER CB C 342 95.113 63.706 31.407 1
1 1718 . 4 2 2 B 12 12 SER N N 342 144.018 122.125 21.893 1
1 1719 . 4 2 2 B 13 13 SER H H 343 8.937 9.000 -0.063 1
1 1720 . 4 2 2 B 13 13 SER HA H 343 4.291 4.475 -0.184 1
1 1723 . 4 2 2 B 13 13 SER C C 343 174.652 175.026 -0.374 1
1 1724 . 4 2 2 B 13 13 SER CA C 343 89.546 59.771 29.775 1
1 1725 . 4 2 2 B 13 13 SER CB C 343 93.470 63.437 30.033 1
1 1726 . 4 2 2 B 13 13 SER N N 343 148.575 117.444 31.131 1
1 1727 . 4 2 2 B 14 14 LYS H H 344 8.250 8.147 0.103 1
1 1728 . 4 2 2 B 14 14 LYS HA H 344 4.319 4.345 -0.026 1
1 1737 . 4 2 2 B 14 14 LYS C C 344 176.699 177.428 -0.729 1
1 1738 . 4 2 2 B 14 14 LYS CA C 344 86.716 57.965 28.751 1
1 1739 . 4 2 2 B 14 14 LYS CB C 344 62.831 33.448 29.383 1
1 1743 . 4 2 2 B 14 14 LYS N N 344 151.908 121.021 30.887 1
1 1744 . 4 2 2 B 15 15 GLU H H 345 8.256 7.776 0.480 1
1 1745 . 4 2 2 B 15 15 GLU HA H 345 4.240 4.407 -0.167 1
1 1750 . 4 2 2 B 15 15 GLU C C 345 176.152 176.160 -0.008 1
1 1751 . 4 2 2 B 15 15 GLU CA C 345 87.152 56.575 30.577 1
1 1752 . 4 2 2 B 15 15 GLU CB C 345 60.176 30.181 29.995 1
1 1754 . 4 2 2 B 15 15 GLU N N 345 150.679 117.825 32.854 1
1 1755 . 4 2 2 B 16 16 VAL H H 346 7.762 7.327 0.435 1
1 1756 . 4 2 2 B 16 16 VAL HA H 346 4.161 4.149 0.012 1
1 1764 . 4 2 2 B 16 16 VAL C C 346 174.646 175.501 -0.855 1
1 1765 . 4 2 2 B 16 16 VAL CA C 346 91.707 60.915 30.792 1
1 1766 . 4 2 2 B 16 16 VAL CB C 346 63.107 33.851 29.256 1
1 1769 . 4 2 2 B 16 16 VAL N N 346 146.718 117.296 29.422 1
1 9 . 5 1 1 A 2 2 MET H H 1 8.414 7.588 0.826 1
1 10 . 5 1 1 A 2 2 MET HA H 1 4.826 5.164 -0.338 1
1 18 . 5 1 1 A 2 2 MET CA C 1 53.382 52.928 0.454 1
1 19 . 5 1 1 A 2 2 MET CB C 1 32.478 35.125 -2.647 1
1 22 . 5 1 1 A 2 2 MET N N 1 122.882 118.018 4.864 1
1 23 . 5 1 1 A 3 3 PRO HA H 2 4.425 4.854 -0.429 1
1 30 . 5 1 1 A 3 3 PRO C C 2 176.847 176.209 0.638 1
1 31 . 5 1 1 A 3 3 PRO CA C 2 63.386 62.741 0.645 1
1 32 . 5 1 1 A 3 3 PRO CB C 2 32.077 31.636 0.441 1
1 35 . 5 1 1 A 4 4 SER H H 3 8.347 8.628 -0.281 1
1 36 . 5 1 1 A 4 4 SER HA H 3 4.391 5.024 -0.633 1
1 39 . 5 1 1 A 4 4 SER C C 3 174.643 172.676 1.967 1
1 40 . 5 1 1 A 4 4 SER CA C 3 58.336 57.477 0.859 1
1 41 . 5 1 1 A 4 4 SER CB C 3 63.798 66.025 -2.227 1
1 42 . 5 1 1 A 4 4 SER N N 3 115.234 113.647 1.587 1
1 43 . 5 1 1 A 5 5 GLU H H 4 8.472 8.770 -0.298 1
1 44 . 5 1 1 A 5 5 GLU HA H 4 4.297 5.054 -0.757 1
1 49 . 5 1 1 A 5 5 GLU C C 4 176.352 175.160 1.192 1
1 50 . 5 1 1 A 5 5 GLU CA C 4 56.572 54.608 1.964 1
1 51 . 5 1 1 A 5 5 GLU CB C 4 30.285 33.500 -3.215 1
1 53 . 5 1 1 A 5 5 GLU N N 4 123.045 119.330 3.715 1
1 54 . 5 1 1 A 6 6 LYS H H 5 8.214 8.385 -0.171 1
1 55 . 5 1 1 A 6 6 LYS HA H 5 4.500 4.441 0.059 1
1 64 . 5 1 1 A 6 6 LYS C C 5 177.243 175.995 1.248 1
1 65 . 5 1 1 A 6 6 LYS CA C 5 55.943 56.544 -0.601 1
1 66 . 5 1 1 A 6 6 LYS CB C 5 34.621 33.784 0.837 1
1 70 . 5 1 1 A 6 6 LYS N N 5 121.467 122.473 -1.006 1
1 71 . 5 1 1 A 7 7 THR H H 6 8.431 8.378 0.053 1
1 72 . 5 1 1 A 7 7 THR HA H 6 4.383 5.066 -0.683 1
1 77 . 5 1 1 A 7 7 THR C C 6 175.360 175.924 -0.564 1
1 78 . 5 1 1 A 7 7 THR CA C 6 61.124 59.252 1.872 1
1 79 . 5 1 1 A 7 7 THR CB C 6 69.863 71.763 -1.900 1
1 81 . 5 1 1 A 7 7 THR N N 6 114.691 111.233 3.458 1
1 82 . 5 1 1 A 8 8 PHE H H 7 10.194 9.596 0.598 1
1 83 . 5 1 1 A 8 8 PHE HA H 7 3.904 4.225 -0.321 1
1 88 . 5 1 1 A 8 8 PHE C C 7 177.000 177.797 -0.797 1
1 89 . 5 1 1 A 8 8 PHE CA C 7 63.388 61.060 2.328 1
1 90 . 5 1 1 A 8 8 PHE CB C 7 39.586 38.940 0.646 1
1 92 . 5 1 1 A 8 8 PHE N N 7 124.861 123.142 1.719 1
1 93 . 5 1 1 A 9 9 LYS H H 8 8.707 8.435 0.272 1
1 94 . 5 1 1 A 9 9 LYS HA H 8 3.761 4.071 -0.310 1
1 103 . 5 1 1 A 9 9 LYS C C 8 177.496 178.924 -1.428 1
1 104 . 5 1 1 A 9 9 LYS CA C 8 59.945 59.303 0.642 1
1 105 . 5 1 1 A 9 9 LYS CB C 8 33.870 32.071 1.799 1
1 109 . 5 1 1 A 9 9 LYS N N 8 114.189 117.452 -3.263 1
1 110 . 5 1 1 A 10 10 GLN H H 9 7.284 8.236 -0.952 1
1 111 . 5 1 1 A 10 10 GLN HA H 9 4.113 4.200 -0.087 1
1 118 . 5 1 1 A 10 10 GLN C C 9 177.416 178.216 -0.800 1
1 119 . 5 1 1 A 10 10 GLN CA C 9 56.743 58.132 -1.389 1
1 120 . 5 1 1 A 10 10 GLN CB C 9 30.002 29.048 0.954 1
1 123 . 5 1 1 A 10 10 GLN N N 9 112.843 119.016 -6.173 1
1 125 . 5 1 1 A 11 11 ARG H H 10 7.889 8.336 -0.447 1
1 126 . 5 1 1 A 11 11 ARG HA H 10 4.255 3.979 0.276 1
1 133 . 5 1 1 A 11 11 ARG C C 10 175.059 176.623 -1.564 1
1 134 . 5 1 1 A 11 11 ARG CA C 10 57.018 59.475 -2.457 1
1 135 . 5 1 1 A 11 11 ARG CB C 10 31.628 30.363 1.265 1
1 138 . 5 1 1 A 11 11 ARG N N 10 117.567 120.471 -2.904 1
1 139 . 5 1 1 A 12 12 ARG H H 11 7.443 7.743 -0.300 1
1 140 . 5 1 1 A 12 12 ARG HA H 11 4.493 4.300 0.193 1
1 147 . 5 1 1 A 12 12 ARG CA C 11 54.172 56.283 -2.111 1
1 148 . 5 1 1 A 12 12 ARG CB C 11 32.857 30.805 2.052 1
1 151 . 5 1 1 A 12 12 ARG N N 11 122.786 120.505 2.281 1
1 152 . 5 1 1 A 13 13 SER HA H 12 4.403 4.479 -0.076 1
1 155 . 5 1 1 A 13 13 SER C C 12 174.222 175.676 -1.454 1
1 156 . 5 1 1 A 13 13 SER CA C 12 58.274 60.344 -2.070 1
1 157 . 5 1 1 A 13 13 SER CB C 12 64.821 63.449 1.372 1
1 158 . 5 1 1 A 14 14 PHE H H 13 9.239 9.224 0.015 1
1 159 . 5 1 1 A 14 14 PHE HA H 13 4.035 4.132 -0.097 1
1 165 . 5 1 1 A 14 14 PHE C C 13 176.023 176.970 -0.947 1
1 166 . 5 1 1 A 14 14 PHE CA C 13 62.790 62.724 0.066 1
1 167 . 5 1 1 A 14 14 PHE CB C 13 39.580 39.878 -0.298 1
1 169 . 5 1 1 A 14 14 PHE N N 13 123.729 126.918 -3.189 1
1 170 . 5 1 1 A 15 15 GLU H H 14 9.093 8.572 0.521 1
1 171 . 5 1 1 A 15 15 GLU HA H 14 3.813 3.887 -0.074 1
1 176 . 5 1 1 A 15 15 GLU C C 14 179.549 179.324 0.225 1
1 177 . 5 1 1 A 15 15 GLU CA C 14 60.444 60.152 0.292 1
1 178 . 5 1 1 A 15 15 GLU CB C 14 28.804 29.219 -0.415 1
1 180 . 5 1 1 A 15 15 GLU N N 14 115.336 117.794 -2.458 1
1 181 . 5 1 1 A 16 16 GLN H H 15 7.752 8.312 -0.560 1
1 182 . 5 1 1 A 16 16 GLN HA H 15 4.044 4.026 0.018 1
1 189 . 5 1 1 A 16 16 GLN C C 15 177.931 178.323 -0.392 1
1 190 . 5 1 1 A 16 16 GLN CA C 15 58.486 59.188 -0.702 1
1 191 . 5 1 1 A 16 16 GLN CB C 15 29.393 28.572 0.821 1
1 194 . 5 1 1 A 16 16 GLN N N 15 119.145 120.145 -1.000 1
1 196 . 5 1 1 A 17 17 ARG H H 16 8.577 8.321 0.256 1
1 197 . 5 1 1 A 17 17 ARG HA H 16 4.280 4.219 0.061 1
1 202 . 5 1 1 A 17 17 ARG C C 16 177.128 178.443 -1.315 1
1 203 . 5 1 1 A 17 17 ARG CA C 16 61.442 59.620 1.822 1
1 204 . 5 1 1 A 17 17 ARG N N 16 121.288 119.069 2.219 1
1 205 . 5 1 1 A 18 18 VAL H H 17 8.329 8.422 -0.093 1
1 206 . 5 1 1 A 18 18 VAL HA H 17 3.938 3.679 0.259 1
1 214 . 5 1 1 A 18 18 VAL C C 17 179.744 178.036 1.708 1
1 215 . 5 1 1 A 18 18 VAL CA C 17 65.441 65.249 0.192 1
1 216 . 5 1 1 A 18 18 VAL CB C 17 32.080 31.561 0.519 1
1 219 . 5 1 1 A 18 18 VAL N N 17 116.752 120.067 -3.315 1
1 220 . 5 1 1 A 19 19 GLU H H 18 7.445 8.332 -0.887 1
1 221 . 5 1 1 A 19 19 GLU HA H 18 4.270 3.971 0.299 1
1 226 . 5 1 1 A 19 19 GLU C C 18 177.625 178.362 -0.737 1
1 227 . 5 1 1 A 19 19 GLU CA C 18 58.637 59.352 -0.715 1
1 228 . 5 1 1 A 19 19 GLU CB C 18 29.398 29.502 -0.104 1
1 230 . 5 1 1 A 19 19 GLU N N 18 120.323 121.485 -1.162 1
1 231 . 5 1 1 A 20 20 ASP H H 19 8.690 8.389 0.301 1
1 232 . 5 1 1 A 20 20 ASP HA H 19 4.514 4.443 0.071 1
1 235 . 5 1 1 A 20 20 ASP C C 19 179.877 178.024 1.853 1
1 236 . 5 1 1 A 20 20 ASP CA C 19 57.224 57.221 0.003 1
1 237 . 5 1 1 A 20 20 ASP CB C 19 41.487 41.118 0.369 1
1 238 . 5 1 1 A 20 20 ASP N N 19 120.313 120.556 -0.243 1
1 239 . 5 1 1 A 21 21 VAL H H 20 7.731 7.801 -0.070 1
1 240 . 5 1 1 A 21 21 VAL HA H 20 3.394 3.203 0.191 1
1 248 . 5 1 1 A 21 21 VAL C C 20 176.989 178.096 -1.107 1
1 249 . 5 1 1 A 21 21 VAL CA C 20 65.989 65.527 0.462 1
1 250 . 5 1 1 A 21 21 VAL CB C 20 31.291 30.807 0.484 1
1 253 . 5 1 1 A 21 21 VAL N N 20 119.119 118.587 0.532 1
1 254 . 5 1 1 A 22 22 ARG H H 21 8.313 8.256 0.057 1
1 255 . 5 1 1 A 22 22 ARG HA H 21 3.825 3.952 -0.127 1
1 263 . 5 1 1 A 22 22 ARG C C 21 180.178 178.531 1.647 1
1 264 . 5 1 1 A 22 22 ARG CA C 21 59.821 59.125 0.696 1
1 265 . 5 1 1 A 22 22 ARG CB C 21 30.164 30.219 -0.055 1
1 269 . 5 1 1 A 22 22 ARG N N 21 120.772 121.343 -0.571 1
1 271 . 5 1 1 A 23 23 LEU H H 22 8.306 8.364 -0.058 1
1 272 . 5 1 1 A 23 23 LEU HA H 22 4.076 3.937 0.139 1
1 282 . 5 1 1 A 23 23 LEU C C 22 180.221 178.879 1.342 1
1 283 . 5 1 1 A 23 23 LEU CA C 22 57.541 58.061 -0.520 1
1 284 . 5 1 1 A 23 23 LEU CB C 22 42.300 41.633 0.667 1
1 288 . 5 1 1 A 23 23 LEU N N 22 116.413 119.522 -3.109 1
1 289 . 5 1 1 A 24 24 ILE H H 23 7.864 8.170 -0.306 1
1 290 . 5 1 1 A 24 24 ILE HA H 23 4.090 3.774 0.316 1
1 300 . 5 1 1 A 24 24 ILE C C 23 177.922 178.284 -0.362 1
1 301 . 5 1 1 A 24 24 ILE CA C 23 60.190 64.951 -4.761 1
1 302 . 5 1 1 A 24 24 ILE CB C 23 38.072 37.580 0.492 1
1 306 . 5 1 1 A 24 24 ILE N N 23 121.259 118.022 3.237 1
1 307 . 5 1 1 A 25 25 ARG H H 24 8.339 8.370 -0.031 1
1 308 . 5 1 1 A 25 25 ARG HA H 24 3.973 3.991 -0.018 1
1 316 . 5 1 1 A 25 25 ARG C C 24 178.479 178.133 0.346 1
1 317 . 5 1 1 A 25 25 ARG CA C 24 57.337 59.246 -1.909 1
1 318 . 5 1 1 A 25 25 ARG CB C 24 28.663 29.958 -1.295 1
1 322 . 5 1 1 A 25 25 ARG N N 24 121.816 121.155 0.661 1
1 324 . 5 1 1 A 26 26 GLU H H 25 7.133 8.527 -1.394 1
1 325 . 5 1 1 A 26 26 GLU HA H 25 4.052 4.252 -0.200 1
1 330 . 5 1 1 A 26 26 GLU C C 25 178.158 177.900 0.258 1
1 331 . 5 1 1 A 26 26 GLU CA C 25 58.367 57.449 0.918 1
1 332 . 5 1 1 A 26 26 GLU CB C 25 29.903 30.198 -0.295 1
1 334 . 5 1 1 A 26 26 GLU N N 25 116.794 117.338 -0.544 1
1 335 . 5 1 1 A 27 27 GLN H H 26 7.283 8.143 -0.860 1
1 336 . 5 1 1 A 27 27 GLN HA H 26 3.888 4.338 -0.450 1
1 343 . 5 1 1 A 27 27 GLN C C 26 176.088 175.899 0.189 1
1 344 . 5 1 1 A 27 27 GLN CA C 26 57.676 57.462 0.214 1
1 345 . 5 1 1 A 27 27 GLN CB C 26 30.382 30.007 0.375 1
1 348 . 5 1 1 A 27 27 GLN N N 26 116.373 118.181 -1.808 1
1 350 . 5 1 1 A 28 28 HIS H H 27 8.223 8.576 -0.353 1
1 351 . 5 1 1 A 28 28 HIS HA H 27 4.941 5.083 -0.142 1
1 356 . 5 1 1 A 28 28 HIS CA C 27 53.278 53.159 0.119 1
1 357 . 5 1 1 A 28 28 HIS CB C 27 30.933 29.845 1.088 1
1 360 . 5 1 1 A 28 28 HIS N N 27 115.408 116.171 -0.763 1
1 361 . 5 1 1 A 29 29 PRO HA H 28 4.562 4.327 0.235 1
1 368 . 5 1 1 A 29 29 PRO C C 28 178.046 177.828 0.218 1
1 369 . 5 1 1 A 29 29 PRO CA C 28 64.821 64.383 0.438 1
1 370 . 5 1 1 A 29 29 PRO CB C 28 32.447 31.887 0.560 1
1 373 . 5 1 1 A 30 30 THR H H 29 7.820 7.694 0.126 1
1 374 . 5 1 1 A 30 30 THR HA H 29 4.583 4.375 0.208 1
1 379 . 5 1 1 A 30 30 THR C C 29 172.723 173.609 -0.886 1
1 380 . 5 1 1 A 30 30 THR CA C 29 60.826 62.119 -1.293 1
1 381 . 5 1 1 A 30 30 THR CB C 29 68.641 69.238 -0.597 1
1 383 . 5 1 1 A 30 30 THR N N 29 106.682 107.791 -1.109 1
1 384 . 5 1 1 A 31 31 LYS H H 30 7.453 7.182 0.271 1
1 385 . 5 1 1 A 31 31 LYS HA H 30 4.850 4.901 -0.051 1
1 394 . 5 1 1 A 31 31 LYS C C 30 174.296 174.953 -0.657 1
1 395 . 5 1 1 A 31 31 LYS CA C 30 53.944 54.648 -0.704 1
1 396 . 5 1 1 A 31 31 LYS CB C 30 36.098 36.937 -0.839 1
1 400 . 5 1 1 A 31 31 LYS N N 30 117.809 120.143 -2.334 1
1 401 . 5 1 1 A 32 32 ILE H H 31 9.265 9.425 -0.160 1
1 402 . 5 1 1 A 32 32 ILE HA H 31 4.106 4.227 -0.121 1
1 412 . 5 1 1 A 32 32 ILE CA C 31 54.606 57.494 -2.888 1
1 413 . 5 1 1 A 32 32 ILE CB C 31 38.448 38.964 -0.516 1
1 417 . 5 1 1 A 32 32 ILE N N 31 122.497 122.009 0.488 1
1 418 . 5 1 1 A 33 33 PRO HA H 32 5.252 4.964 0.288 1
1 425 . 5 1 1 A 33 33 PRO C C 32 174.652 176.759 -2.107 1
1 426 . 5 1 1 A 33 33 PRO CA C 32 61.704 62.527 -0.823 1
1 427 . 5 1 1 A 33 33 PRO CB C 32 31.873 31.603 0.270 1
1 430 . 5 1 1 A 34 34 VAL H H 33 9.359 8.221 1.138 1
1 431 . 5 1 1 A 34 34 VAL HA H 33 5.298 5.196 0.102 1
1 439 . 5 1 1 A 34 34 VAL C C 33 173.633 174.842 -1.209 1
1 440 . 5 1 1 A 34 34 VAL CA C 33 59.830 59.193 0.637 1
1 441 . 5 1 1 A 34 34 VAL CB C 33 36.154 36.122 0.032 1
1 444 . 5 1 1 A 34 34 VAL N N 33 124.496 116.757 7.739 1
1 445 . 5 1 1 A 35 35 ILE H H 34 8.667 9.182 -0.515 1
1 446 . 5 1 1 A 35 35 ILE HA H 34 4.867 4.766 0.101 1
1 456 . 5 1 1 A 35 35 ILE C C 34 175.770 174.926 0.844 1
1 457 . 5 1 1 A 35 35 ILE CA C 34 56.320 60.244 -3.924 1
1 458 . 5 1 1 A 35 35 ILE CB C 34 36.909 39.289 -2.380 1
1 462 . 5 1 1 A 35 35 ILE N N 34 127.447 122.092 5.355 1
1 463 . 5 1 1 A 36 36 ILE H H 35 8.422 9.416 -0.994 1
1 464 . 5 1 1 A 36 36 ILE HA H 35 4.890 5.030 -0.140 1
1 474 . 5 1 1 A 36 36 ILE C C 35 175.098 175.354 -0.256 1
1 475 . 5 1 1 A 36 36 ILE CA C 35 60.806 60.538 0.268 1
1 476 . 5 1 1 A 36 36 ILE CB C 35 39.357 39.019 0.338 1
1 480 . 5 1 1 A 36 36 ILE N N 35 124.267 128.749 -4.482 1
1 481 . 5 1 1 A 37 37 GLU H H 36 8.335 8.782 -0.447 1
1 482 . 5 1 1 A 37 37 GLU HA H 36 4.820 4.900 -0.080 1
1 487 . 5 1 1 A 37 37 GLU C C 36 173.502 176.034 -2.532 1
1 488 . 5 1 1 A 37 37 GLU CA C 36 54.214 54.359 -0.145 1
1 489 . 5 1 1 A 37 37 GLU CB C 36 35.547 33.458 2.089 1
1 491 . 5 1 1 A 37 37 GLU N N 36 123.296 125.600 -2.304 1
1 492 . 5 1 1 A 38 38 ARG H H 37 8.891 8.386 0.505 1
1 493 . 5 1 1 A 38 38 ARG HA H 37 2.755 2.972 -0.217 1
1 501 . 5 1 1 A 38 38 ARG C C 37 176.165 175.308 0.857 1
1 502 . 5 1 1 A 38 38 ARG CA C 37 56.235 55.943 0.292 1
1 503 . 5 1 1 A 38 38 ARG CB C 37 31.328 30.054 1.274 1
1 507 . 5 1 1 A 38 38 ARG N N 37 123.143 123.141 0.002 1
1 509 . 5 1 1 A 39 39 TYR H H 38 8.681 7.938 0.743 1
1 510 . 5 1 1 A 39 39 TYR HA H 38 4.331 4.384 -0.053 1
1 517 . 5 1 1 A 39 39 TYR C C 38 177.064 175.217 1.847 1
1 518 . 5 1 1 A 39 39 TYR CA C 38 57.769 58.917 -1.148 1
1 519 . 5 1 1 A 39 39 TYR CB C 38 39.552 38.895 0.657 1
1 522 . 5 1 1 A 39 39 TYR N N 38 128.699 122.924 5.775 1
1 523 . 5 1 1 A 40 40 LYS H H 39 8.454 7.868 0.586 1
1 524 . 5 1 1 A 40 40 LYS HA H 39 3.841 3.988 -0.147 1
1 533 . 5 1 1 A 40 40 LYS C C 39 176.290 176.899 -0.609 1
1 534 . 5 1 1 A 40 40 LYS CA C 39 58.772 56.770 2.002 1
1 535 . 5 1 1 A 40 40 LYS CB C 39 31.738 31.465 0.273 1
1 539 . 5 1 1 A 40 40 LYS N N 39 130.022 123.482 6.540 1
1 540 . 5 1 1 A 41 41 GLY H H 40 5.457 8.691 -3.234 1
1 541 . 5 1 1 A 41 41 GLY HA2 H 40 3.306 4.031 -0.725 1
1 542 . 5 1 1 A 41 41 GLY HA3 H 40 3.999 4.124 -0.125 1
1 543 . 5 1 1 A 41 41 GLY C C 40 173.426 174.535 -1.109 1
1 544 . 5 1 1 A 41 41 GLY CA C 40 44.673 45.168 -0.495 1
1 545 . 5 1 1 A 41 41 GLY N N 40 104.628 113.586 -8.958 1
1 546 . 5 1 1 A 42 42 GLU H H 41 7.440 8.501 -1.061 1
1 547 . 5 1 1 A 42 42 GLU HA H 41 4.278 4.442 -0.164 1
1 552 . 5 1 1 A 42 42 GLU C C 41 176.306 176.458 -0.152 1
1 553 . 5 1 1 A 42 42 GLU CA C 41 56.358 55.938 0.420 1
1 554 . 5 1 1 A 42 42 GLU CB C 41 31.014 29.615 1.399 1
1 556 . 5 1 1 A 42 42 GLU N N 41 122.648 121.005 1.643 1
1 557 . 5 1 1 A 43 43 LYS H H 42 8.912 8.448 0.464 1
1 558 . 5 1 1 A 43 43 LYS HA H 42 4.680 4.598 0.082 1
1 567 . 5 1 1 A 43 43 LYS C C 42 177.063 178.249 -1.186 1
1 568 . 5 1 1 A 43 43 LYS CA C 42 55.652 56.445 -0.793 1
1 569 . 5 1 1 A 43 43 LYS CB C 42 34.871 34.117 0.754 1
1 573 . 5 1 1 A 43 43 LYS N N 42 123.569 123.155 0.414 1
1 574 . 5 1 1 A 44 44 GLN H H 43 8.446 8.075 0.371 1
1 575 . 5 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1
1 582 . 5 1 1 A 44 44 GLN C C 43 177.152 176.945 0.207 1
1 583 . 5 1 1 A 44 44 GLN CA C 43 57.561 58.688 -1.127 1
1 584 . 5 1 1 A 44 44 GLN CB C 43 30.671 28.637 2.034 1
1 587 . 5 1 1 A 44 44 GLN N N 43 118.990 118.778 0.212 1
1 589 . 5 1 1 A 45 45 LEU H H 44 9.043 7.816 1.227 1
1 590 . 5 1 1 A 45 45 LEU HA H 44 4.716 4.476 0.240 1
1 600 . 5 1 1 A 45 45 LEU CA C 44 53.078 53.895 -0.817 1
1 601 . 5 1 1 A 45 45 LEU CB C 44 43.614 41.233 2.381 1
1 605 . 5 1 1 A 45 45 LEU N N 44 120.375 120.298 0.077 1
1 606 . 5 1 1 A 46 46 PRO HA H 45 4.723 4.641 0.082 1
1 613 . 5 1 1 A 46 46 PRO C C 45 175.883 176.161 -0.278 1
1 614 . 5 1 1 A 46 46 PRO CA C 45 62.005 62.257 -0.252 1
1 615 . 5 1 1 A 46 46 PRO CB C 45 32.609 32.362 0.247 1
1 618 . 5 1 1 A 47 47 VAL H H 46 8.437 8.527 -0.090 1
1 619 . 5 1 1 A 47 47 VAL HA H 46 3.914 4.702 -0.788 1
1 627 . 5 1 1 A 47 47 VAL C C 46 175.367 176.074 -0.707 1
1 628 . 5 1 1 A 47 47 VAL CA C 46 62.700 61.913 0.787 1
1 629 . 5 1 1 A 47 47 VAL CB C 46 32.927 31.702 1.225 1
1 632 . 5 1 1 A 47 47 VAL N N 46 118.440 121.702 -3.262 1
1 633 . 5 1 1 A 48 48 LEU H H 47 7.863 8.277 -0.414 1
1 634 . 5 1 1 A 48 48 LEU HA H 47 4.384 4.123 0.261 1
1 644 . 5 1 1 A 48 48 LEU C C 47 176.088 178.248 -2.160 1
1 645 . 5 1 1 A 48 48 LEU CA C 47 54.851 55.547 -0.696 1
1 646 . 5 1 1 A 48 48 LEU CB C 47 43.841 43.773 0.068 1
1 650 . 5 1 1 A 48 48 LEU N N 47 129.127 129.281 -0.154 1
1 651 . 5 1 1 A 49 49 ASP H H 48 8.699 8.641 0.058 1
1 652 . 5 1 1 A 49 49 ASP HA H 48 4.293 4.519 -0.226 1
1 655 . 5 1 1 A 49 49 ASP C C 48 175.121 176.437 -1.316 1
1 656 . 5 1 1 A 49 49 ASP CA C 48 55.717 56.887 -1.170 1
1 657 . 5 1 1 A 49 49 ASP CB C 48 40.260 42.534 -2.274 1
1 658 . 5 1 1 A 49 49 ASP N N 48 121.389 122.667 -1.278 1
1 659 . 5 1 1 A 50 50 LYS H H 49 7.251 7.743 -0.492 1
1 660 . 5 1 1 A 50 50 LYS HA H 49 4.540 4.691 -0.151 1
1 669 . 5 1 1 A 50 50 LYS C C 49 174.664 176.132 -1.468 1
1 670 . 5 1 1 A 50 50 LYS CA C 49 53.211 54.266 -1.055 1
1 671 . 5 1 1 A 50 50 LYS CB C 49 35.514 35.185 0.329 1
1 675 . 5 1 1 A 50 50 LYS N N 49 118.260 116.423 1.837 1
1 676 . 5 1 1 A 51 51 THR H H 50 8.162 8.126 0.036 1
1 677 . 5 1 1 A 51 51 THR HA H 50 4.685 4.688 -0.003 1
1 682 . 5 1 1 A 51 51 THR C C 50 171.631 174.013 -2.382 1
1 683 . 5 1 1 A 51 51 THR CA C 50 63.581 62.952 0.629 1
1 684 . 5 1 1 A 51 51 THR CB C 50 71.587 70.415 1.172 1
1 686 . 5 1 1 A 51 51 THR N N 50 112.535 113.571 -1.036 1
1 687 . 5 1 1 A 52 52 LYS H H 51 6.971 7.453 -0.482 1
1 688 . 5 1 1 A 52 52 LYS HA H 51 4.443 5.417 -0.974 1
1 697 . 5 1 1 A 52 52 LYS C C 51 175.417 175.229 0.188 1
1 698 . 5 1 1 A 52 52 LYS CA C 51 55.209 54.738 0.471 1
1 699 . 5 1 1 A 52 52 LYS CB C 51 33.309 35.522 -2.213 1
1 703 . 5 1 1 A 52 52 LYS N N 51 120.227 118.057 2.170 1
1 704 . 5 1 1 A 53 53 PHE H H 52 9.688 9.003 0.685 1
1 705 . 5 1 1 A 53 53 PHE HA H 52 5.675 4.986 0.689 1
1 712 . 5 1 1 A 53 53 PHE C C 52 174.348 174.532 -0.184 1
1 713 . 5 1 1 A 53 53 PHE CA C 52 56.625 56.679 -0.054 1
1 714 . 5 1 1 A 53 53 PHE CB C 52 43.109 43.558 -0.449 1
1 716 . 5 1 1 A 53 53 PHE N N 52 124.646 119.973 4.673 1
1 717 . 5 1 1 A 54 54 LEU H H 53 8.470 9.039 -0.569 1
1 718 . 5 1 1 A 54 54 LEU HA H 53 5.044 4.887 0.157 1
1 728 . 5 1 1 A 54 54 LEU C C 53 176.144 175.213 0.931 1
1 729 . 5 1 1 A 54 54 LEU CA C 53 52.954 53.483 -0.529 1
1 730 . 5 1 1 A 54 54 LEU CB C 53 45.081 42.095 2.986 1
1 734 . 5 1 1 A 54 54 LEU N N 53 119.430 123.731 -4.301 1
1 735 . 5 1 1 A 55 55 VAL H H 54 8.802 8.621 0.181 1
1 736 . 5 1 1 A 55 55 VAL HA H 54 4.640 4.524 0.116 1
1 744 . 5 1 1 A 55 55 VAL CA C 54 58.549 59.905 -1.356 1
1 745 . 5 1 1 A 55 55 VAL CB C 54 35.342 33.404 1.938 1
1 748 . 5 1 1 A 55 55 VAL N N 54 123.841 125.254 -1.413 1
1 749 . 5 1 1 A 56 56 PRO HA H 55 4.439 4.716 -0.277 1
1 756 . 5 1 1 A 56 56 PRO C C 55 176.666 176.597 0.069 1
1 757 . 5 1 1 A 56 56 PRO CA C 55 64.256 62.128 2.128 1
1 758 . 5 1 1 A 56 56 PRO CB C 55 32.783 31.436 1.347 1
1 761 . 5 1 1 A 57 57 ASP H H 56 8.412 8.251 0.161 1
1 762 . 5 1 1 A 57 57 ASP HA H 56 3.848 4.470 -0.622 1
1 765 . 5 1 1 A 57 57 ASP C C 56 175.417 176.549 -1.132 1
1 766 . 5 1 1 A 57 57 ASP CA C 56 56.616 53.923 2.693 1
1 767 . 5 1 1 A 57 57 ASP CB C 56 40.410 39.748 0.662 1
1 768 . 5 1 1 A 57 57 ASP N N 56 120.415 123.040 -2.625 1
1 769 . 5 1 1 A 58 58 HIS H H 57 7.373 7.949 -0.576 1
1 770 . 5 1 1 A 58 58 HIS HA H 57 4.770 4.825 -0.055 1
1 775 . 5 1 1 A 58 58 HIS C C 57 176.594 174.125 2.469 1
1 776 . 5 1 1 A 58 58 HIS CA C 57 55.584 54.954 0.630 1
1 777 . 5 1 1 A 58 58 HIS CB C 57 30.628 30.966 -0.338 1
1 780 . 5 1 1 A 58 58 HIS N N 57 113.439 114.346 -0.907 1
1 781 . 5 1 1 A 59 59 VAL H H 58 7.249 7.583 -0.334 1
1 782 . 5 1 1 A 59 59 VAL HA H 58 3.903 4.884 -0.981 1
1 790 . 5 1 1 A 59 59 VAL C C 58 175.014 173.979 1.035 1
1 791 . 5 1 1 A 59 59 VAL CA C 58 62.726 59.197 3.529 1
1 792 . 5 1 1 A 59 59 VAL CB C 58 32.190 36.412 -4.222 1
1 795 . 5 1 1 A 59 59 VAL N N 58 122.597 115.740 6.857 1
1 796 . 5 1 1 A 60 60 ASN H H 59 8.677 8.360 0.317 1
1 797 . 5 1 1 A 60 60 ASN HA H 59 5.187 5.081 0.106 1
1 802 . 5 1 1 A 60 60 ASN C C 59 176.477 177.065 -0.588 1
1 803 . 5 1 1 A 60 60 ASN CA C 59 51.181 51.334 -0.153 1
1 804 . 5 1 1 A 60 60 ASN CB C 59 39.947 41.123 -1.176 1
1 806 . 5 1 1 A 60 60 ASN N N 59 122.962 119.300 3.662 1
1 808 . 5 1 1 A 61 61 MET H H 60 8.038 8.582 -0.544 1
1 809 . 5 1 1 A 61 61 MET HA H 60 4.426 4.203 0.223 1
1 817 . 5 1 1 A 61 61 MET C C 60 177.996 178.445 -0.449 1
1 818 . 5 1 1 A 61 61 MET CA C 60 57.118 58.141 -1.023 1
1 819 . 5 1 1 A 61 61 MET CB C 60 29.998 32.110 -2.112 1
1 822 . 5 1 1 A 61 61 MET N N 60 116.814 119.492 -2.678 1
1 823 . 5 1 1 A 62 62 SER H H 61 8.401 8.158 0.243 1
1 824 . 5 1 1 A 62 62 SER HA H 61 4.132 4.125 0.007 1
1 827 . 5 1 1 A 62 62 SER C C 61 177.255 177.197 0.058 1
1 828 . 5 1 1 A 62 62 SER CA C 61 61.559 61.473 0.086 1
1 829 . 5 1 1 A 62 62 SER CB C 61 62.430 63.182 -0.752 1
1 830 . 5 1 1 A 62 62 SER N N 61 114.109 115.571 -1.462 1
1 831 . 5 1 1 A 63 63 GLU H H 62 8.014 8.007 0.007 1
1 832 . 5 1 1 A 63 63 GLU HA H 62 4.016 3.982 0.034 1
1 837 . 5 1 1 A 63 63 GLU C C 62 178.327 178.846 -0.519 1
1 838 . 5 1 1 A 63 63 GLU CA C 62 58.787 59.451 -0.664 1
1 839 . 5 1 1 A 63 63 GLU CB C 62 29.814 29.343 0.471 1
1 841 . 5 1 1 A 63 63 GLU N N 62 122.806 121.471 1.335 1
1 842 . 5 1 1 A 64 64 LEU H H 63 8.254 8.205 0.049 1
1 843 . 5 1 1 A 64 64 LEU HA H 63 3.932 3.957 -0.025 1
1 853 . 5 1 1 A 64 64 LEU C C 63 178.029 178.519 -0.490 1
1 854 . 5 1 1 A 64 64 LEU CA C 63 57.986 58.353 -0.367 1
1 855 . 5 1 1 A 64 64 LEU CB C 63 41.377 41.856 -0.479 1
1 859 . 5 1 1 A 64 64 LEU N N 63 120.526 121.772 -1.246 1
1 860 . 5 1 1 A 65 65 ILE H H 64 8.415 8.099 0.316 1
1 861 . 5 1 1 A 65 65 ILE HA H 64 3.377 3.756 -0.379 1
1 871 . 5 1 1 A 65 65 ILE C C 64 177.078 177.641 -0.563 1
1 872 . 5 1 1 A 65 65 ILE CA C 64 66.699 65.638 1.061 1
1 873 . 5 1 1 A 65 65 ILE CB C 64 38.128 38.022 0.106 1
1 877 . 5 1 1 A 65 65 ILE N N 64 118.349 119.803 -1.454 1
1 878 . 5 1 1 A 66 66 LYS H H 65 7.366 7.942 -0.576 1
1 879 . 5 1 1 A 66 66 LYS HA H 65 3.696 4.026 -0.330 1
1 888 . 5 1 1 A 66 66 LYS C C 65 179.260 179.343 -0.083 1
1 889 . 5 1 1 A 66 66 LYS CA C 65 60.593 59.184 1.409 1
1 890 . 5 1 1 A 66 66 LYS CB C 65 32.421 32.364 0.057 1
1 894 . 5 1 1 A 66 66 LYS N N 65 118.334 119.396 -1.062 1
1 895 . 5 1 1 A 67 67 ILE H H 66 8.179 8.362 -0.183 1
1 896 . 5 1 1 A 67 67 ILE HA H 66 3.546 3.802 -0.256 1
1 906 . 5 1 1 A 67 67 ILE C C 66 178.784 178.527 0.257 1
1 907 . 5 1 1 A 67 67 ILE CA C 66 65.488 64.369 1.119 1
1 908 . 5 1 1 A 67 67 ILE CB C 66 38.593 36.828 1.765 1
1 912 . 5 1 1 A 67 67 ILE N N 66 119.791 120.059 -0.268 1
1 913 . 5 1 1 A 68 68 ILE H H 67 8.279 8.074 0.205 1
1 914 . 5 1 1 A 68 68 ILE HA H 67 3.391 3.559 -0.168 1
1 924 . 5 1 1 A 68 68 ILE C C 67 177.403 177.530 -0.127 1
1 925 . 5 1 1 A 68 68 ILE CA C 67 63.144 64.629 -1.485 1
1 926 . 5 1 1 A 68 68 ILE CB C 67 35.269 37.477 -2.208 1
1 930 . 5 1 1 A 68 68 ILE N N 67 120.267 122.087 -1.820 1
1 931 . 5 1 1 A 69 69 ARG H H 68 8.454 8.030 0.424 1
1 932 . 5 1 1 A 69 69 ARG HA H 68 2.966 3.373 -0.407 1
1 939 . 5 1 1 A 69 69 ARG C C 68 178.385 177.571 0.814 1
1 940 . 5 1 1 A 69 69 ARG CA C 68 60.642 58.242 2.400 1
1 941 . 5 1 1 A 69 69 ARG CB C 68 30.442 29.394 1.048 1
1 944 . 5 1 1 A 69 69 ARG N N 68 118.881 120.415 -1.534 1
1 945 . 5 1 1 A 70 70 ARG H H 69 7.492 7.657 -0.165 1
1 946 . 5 1 1 A 70 70 ARG HA H 69 4.164 4.077 0.087 1
1 954 . 5 1 1 A 70 70 ARG C C 69 180.253 178.592 1.661 1
1 955 . 5 1 1 A 70 70 ARG CA C 69 58.510 59.109 -0.599 1
1 956 . 5 1 1 A 70 70 ARG CB C 69 29.587 30.020 -0.433 1
1 960 . 5 1 1 A 70 70 ARG N N 69 116.411 118.738 -2.327 1
1 962 . 5 1 1 A 71 71 ARG H H 70 8.086 8.203 -0.117 1
1 963 . 5 1 1 A 71 71 ARG HA H 70 4.025 4.038 -0.013 1
1 970 . 5 1 1 A 71 71 ARG C C 70 178.558 178.525 0.033 1
1 971 . 5 1 1 A 71 71 ARG CA C 70 59.428 59.057 0.371 1
1 972 . 5 1 1 A 71 71 ARG CB C 70 30.235 30.244 -0.009 1
1 975 . 5 1 1 A 71 71 ARG N N 70 122.779 119.488 3.291 1
1 976 . 5 1 1 A 72 72 LEU H H 71 7.755 7.524 0.231 1
1 977 . 5 1 1 A 72 72 LEU HA H 71 4.081 4.108 -0.027 1
1 987 . 5 1 1 A 72 72 LEU C C 71 174.852 176.441 -1.589 1
1 988 . 5 1 1 A 72 72 LEU CA C 71 55.060 55.301 -0.241 1
1 989 . 5 1 1 A 72 72 LEU CB C 71 43.109 41.749 1.360 1
1 993 . 5 1 1 A 72 72 LEU N N 71 116.551 118.471 -1.920 1
1 994 . 5 1 1 A 73 73 GLN H H 72 7.740 7.877 -0.137 1
1 995 . 5 1 1 A 73 73 GLN HA H 72 3.853 3.941 -0.088 1
1 1002 . 5 1 1 A 73 73 GLN C C 72 175.619 174.842 0.777 1
1 1003 . 5 1 1 A 73 73 GLN CA C 72 56.273 56.508 -0.235 1
1 1004 . 5 1 1 A 73 73 GLN CB C 72 25.939 26.464 -0.525 1
1 1007 . 5 1 1 A 73 73 GLN N N 72 114.737 117.855 -3.118 1
1 1009 . 5 1 1 A 74 74 LEU H H 73 7.525 7.459 0.066 1
1 1010 . 5 1 1 A 74 74 LEU HA H 73 4.242 4.460 -0.218 1
1 1020 . 5 1 1 A 74 74 LEU C C 73 178.611 176.020 2.591 1
1 1021 . 5 1 1 A 74 74 LEU CA C 73 54.382 54.142 0.240 1
1 1022 . 5 1 1 A 74 74 LEU CB C 73 41.995 42.068 -0.073 1
1 1026 . 5 1 1 A 74 74 LEU N N 73 114.861 120.363 -5.502 1
1 1027 . 5 1 1 A 75 75 ASN H H 74 8.970 8.678 0.292 1
1 1028 . 5 1 1 A 75 75 ASN HA H 74 4.694 5.046 -0.352 1
1 1033 . 5 1 1 A 75 75 ASN C C 74 176.527 176.223 0.304 1
1 1034 . 5 1 1 A 75 75 ASN CA C 74 52.686 51.461 1.225 1
1 1035 . 5 1 1 A 75 75 ASN CB C 74 39.583 41.478 -1.895 1
1 1037 . 5 1 1 A 75 75 ASN N N 74 121.274 117.553 3.721 1
1 1039 . 5 1 1 A 76 76 ALA H H 75 8.697 8.706 -0.009 1
1 1040 . 5 1 1 A 76 76 ALA HA H 75 3.966 4.067 -0.101 1
1 1044 . 5 1 1 A 76 76 ALA C C 75 178.002 178.758 -0.756 1
1 1045 . 5 1 1 A 76 76 ALA CA C 75 54.797 54.473 0.324 1
1 1046 . 5 1 1 A 76 76 ALA CB C 75 18.669 18.402 0.267 1
1 1047 . 5 1 1 A 76 76 ALA N N 75 123.590 122.091 1.499 1
1 1048 . 5 1 1 A 77 77 ASN H H 76 8.344 8.297 0.047 1
1 1049 . 5 1 1 A 77 77 ASN HA H 76 4.585 4.625 -0.040 1
1 1054 . 5 1 1 A 77 77 ASN C C 76 175.371 174.977 0.394 1
1 1055 . 5 1 1 A 77 77 ASN CA C 76 53.183 54.016 -0.833 1
1 1056 . 5 1 1 A 77 77 ASN CB C 76 38.277 37.764 0.513 1
1 1058 . 5 1 1 A 77 77 ASN N N 76 112.004 112.700 -0.696 1
1 1060 . 5 1 1 A 78 78 GLN H H 77 7.532 7.545 -0.013 1
1 1061 . 5 1 1 A 78 78 GLN HA H 77 4.281 4.692 -0.411 1
1 1068 . 5 1 1 A 78 78 GLN C C 77 175.001 174.428 0.573 1
1 1069 . 5 1 1 A 78 78 GLN CA C 77 55.875 54.781 1.094 1
1 1070 . 5 1 1 A 78 78 GLN CB C 77 30.227 30.710 -0.483 1
1 1073 . 5 1 1 A 78 78 GLN N N 77 120.237 120.292 -0.055 1
1 1075 . 5 1 1 A 79 79 ALA H H 78 8.732 8.717 0.015 1
1 1076 . 5 1 1 A 79 79 ALA HA H 78 4.183 4.878 -0.695 1
1 1080 . 5 1 1 A 79 79 ALA C C 78 176.367 176.386 -0.019 1
1 1081 . 5 1 1 A 79 79 ALA CA C 78 52.798 51.553 1.245 1
1 1082 . 5 1 1 A 79 79 ALA CB C 78 20.051 20.398 -0.347 1
1 1083 . 5 1 1 A 79 79 ALA N N 78 130.399 129.371 1.028 1
1 1084 . 5 1 1 A 80 80 PHE H H 79 7.603 8.504 -0.901 1
1 1085 . 5 1 1 A 80 80 PHE HA H 79 4.449 5.236 -0.787 1
1 1093 . 5 1 1 A 80 80 PHE C C 79 171.709 173.045 -1.336 1
1 1094 . 5 1 1 A 80 80 PHE CA C 79 59.101 56.807 2.294 1
1 1095 . 5 1 1 A 80 80 PHE CB C 79 42.282 42.598 -0.316 1
1 1099 . 5 1 1 A 80 80 PHE N N 79 118.988 123.353 -4.365 1
1 1100 . 5 1 1 A 81 81 PHE H H 80 8.507 8.904 -0.397 1
1 1101 . 5 1 1 A 81 81 PHE HA H 80 4.421 4.428 -0.007 1
1 1109 . 5 1 1 A 81 81 PHE C C 80 172.644 173.811 -1.167 1
1 1110 . 5 1 1 A 81 81 PHE CA C 80 56.711 55.907 0.804 1
1 1111 . 5 1 1 A 81 81 PHE CB C 80 41.880 42.340 -0.460 1
1 1115 . 5 1 1 A 81 81 PHE N N 80 126.042 124.786 1.256 1
1 1116 . 5 1 1 A 82 82 LEU H H 81 8.199 8.508 -0.309 1
1 1117 . 5 1 1 A 82 82 LEU HA H 81 4.883 4.850 0.033 1
1 1127 . 5 1 1 A 82 82 LEU C C 81 174.440 174.794 -0.354 1
1 1128 . 5 1 1 A 82 82 LEU CA C 81 53.153 54.189 -1.036 1
1 1129 . 5 1 1 A 82 82 LEU CB C 81 45.520 43.344 2.176 1
1 1133 . 5 1 1 A 82 82 LEU N N 81 121.512 125.905 -4.393 1
1 1134 . 5 1 1 A 83 83 LEU H H 82 9.349 9.764 -0.415 1
1 1135 . 5 1 1 A 83 83 LEU HA H 82 4.810 4.627 0.183 1
1 1145 . 5 1 1 A 83 83 LEU C C 82 177.075 175.960 1.115 1
1 1146 . 5 1 1 A 83 83 LEU CA C 82 54.122 54.100 0.022 1
1 1147 . 5 1 1 A 83 83 LEU CB C 82 43.394 41.333 2.061 1
1 1151 . 5 1 1 A 83 83 LEU N N 82 125.253 129.108 -3.855 1
1 1152 . 5 1 1 A 84 84 VAL H H 83 8.681 9.077 -0.396 1
1 1153 . 5 1 1 A 84 84 VAL HA H 83 4.411 4.113 0.298 1
1 1161 . 5 1 1 A 84 84 VAL C C 83 175.797 176.160 -0.363 1
1 1162 . 5 1 1 A 84 84 VAL CA C 83 61.630 61.754 -0.124 1
1 1163 . 5 1 1 A 84 84 VAL CB C 83 33.647 31.113 2.534 1
1 1166 . 5 1 1 A 84 84 VAL N N 83 123.543 125.653 -2.110 1
1 1167 . 5 1 1 A 85 85 ASN H H 84 9.622 9.047 0.575 1
1 1168 . 5 1 1 A 85 85 ASN HA H 84 4.399 4.741 -0.342 1
1 1173 . 5 1 1 A 85 85 ASN C C 84 175.042 175.069 -0.027 1
1 1174 . 5 1 1 A 85 85 ASN CA C 84 54.610 54.166 0.444 1
1 1175 . 5 1 1 A 85 85 ASN CB C 84 37.927 36.867 1.060 1
1 1177 . 5 1 1 A 85 85 ASN N N 84 125.848 127.259 -1.411 1
1 1179 . 5 1 1 A 86 86 GLY H H 85 8.551 8.385 0.166 1
1 1180 . 5 1 1 A 86 86 GLY HA2 H 85 3.368 3.890 -0.522 1
1 1181 . 5 1 1 A 86 86 GLY HA3 H 85 4.064 3.895 0.169 1
1 1182 . 5 1 1 A 86 86 GLY C C 85 173.524 173.726 -0.202 1
1 1183 . 5 1 1 A 86 86 GLY CA C 85 45.588 45.380 0.208 1
1 1184 . 5 1 1 A 86 86 GLY N N 85 101.093 104.967 -3.874 1
1 1185 . 5 1 1 A 87 87 HIS H H 86 7.906 7.408 0.498 1
1 1186 . 5 1 1 A 87 87 HIS HA H 86 5.003 5.214 -0.211 1
1 1191 . 5 1 1 A 87 87 HIS C C 86 173.910 174.322 -0.412 1
1 1192 . 5 1 1 A 87 87 HIS CA C 86 54.213 53.735 0.478 1
1 1193 . 5 1 1 A 87 87 HIS CB C 86 31.482 32.778 -1.296 1
1 1196 . 5 1 1 A 87 87 HIS N N 86 117.253 115.524 1.729 1
1 1197 . 5 1 1 A 88 88 SER H H 87 8.846 8.979 -0.133 1
1 1198 . 5 1 1 A 88 88 SER HA H 87 4.702 4.484 0.218 1
1 1201 . 5 1 1 A 88 88 SER C C 87 175.739 175.180 0.559 1
1 1202 . 5 1 1 A 88 88 SER CA C 87 58.245 58.194 0.051 1
1 1203 . 5 1 1 A 88 88 SER CB C 87 63.764 64.923 -1.159 1
1 1204 . 5 1 1 A 88 88 SER N N 87 117.469 115.625 1.844 1
1 1205 . 5 1 1 A 89 89 MET H H 88 9.174 8.448 0.726 1
1 1206 . 5 1 1 A 89 89 MET HA H 88 4.820 4.940 -0.120 1
1 1214 . 5 1 1 A 89 89 MET C C 88 176.294 177.003 -0.709 1
1 1215 . 5 1 1 A 89 89 MET CA C 88 54.853 54.026 0.827 1
1 1216 . 5 1 1 A 89 89 MET CB C 88 33.183 32.048 1.135 1
1 1219 . 5 1 1 A 89 89 MET N N 88 125.111 118.340 6.771 1
1 1220 . 5 1 1 A 90 90 VAL H H 89 8.217 8.087 0.130 1
1 1221 . 5 1 1 A 90 90 VAL HA H 89 4.063 3.838 0.225 1
1 1229 . 5 1 1 A 90 90 VAL C C 89 176.249 175.866 0.383 1
1 1230 . 5 1 1 A 90 90 VAL CA C 89 63.377 65.125 -1.748 1
1 1231 . 5 1 1 A 90 90 VAL CB C 89 32.473 31.358 1.115 1
1 1234 . 5 1 1 A 90 90 VAL N N 89 120.477 120.740 -0.263 1
1 1235 . 5 1 1 A 91 91 SER H H 90 8.356 7.897 0.459 1
1 1236 . 5 1 1 A 91 91 SER HA H 90 4.614 4.907 -0.293 1
1 1239 . 5 1 1 A 91 91 SER C C 90 175.841 172.551 3.290 1
1 1240 . 5 1 1 A 91 91 SER CA C 90 57.860 56.592 1.268 1
1 1241 . 5 1 1 A 91 91 SER CB C 90 63.398 64.487 -1.089 1
1 1242 . 5 1 1 A 91 91 SER N N 90 116.676 117.309 -0.633 1
1 1243 . 5 1 1 A 92 92 VAL H H 91 8.158 8.960 -0.802 1
1 1244 . 5 1 1 A 92 92 VAL HA H 91 4.245 4.745 -0.500 1
1 1252 . 5 1 1 A 92 92 VAL C C 91 175.856 175.705 0.151 1
1 1253 . 5 1 1 A 92 92 VAL CA C 91 63.121 60.925 2.196 1
1 1254 . 5 1 1 A 92 92 VAL CB C 91 31.872 33.374 -1.502 1
1 1257 . 5 1 1 A 92 92 VAL N N 91 119.994 129.487 -9.493 1
1 1258 . 5 1 1 A 93 93 SER H H 92 8.368 8.836 -0.468 1
1 1259 . 5 1 1 A 93 93 SER HA H 92 4.581 4.809 -0.228 1
1 1262 . 5 1 1 A 93 93 SER C C 92 174.154 173.584 0.570 1
1 1263 . 5 1 1 A 93 93 SER CA C 92 57.706 57.575 0.131 1
1 1264 . 5 1 1 A 93 93 SER CB C 92 63.126 64.525 -1.399 1
1 1265 . 5 1 1 A 93 93 SER N N 92 116.504 123.866 -7.362 1
1 1266 . 5 1 1 A 94 94 THR H H 93 7.427 7.610 -0.183 1
1 1267 . 5 1 1 A 94 94 THR HA H 93 4.464 4.657 -0.193 1
1 1272 . 5 1 1 A 94 94 THR CA C 93 61.032 59.126 1.906 1
1 1273 . 5 1 1 A 94 94 THR CB C 93 70.505 71.578 -1.073 1
1 1275 . 5 1 1 A 94 94 THR N N 93 119.172 116.612 2.560 1
1 1276 . 5 1 1 A 95 95 PRO HA H 94 4.426 4.677 -0.251 1
1 1283 . 5 1 1 A 95 95 PRO C C 94 178.692 178.001 0.691 1
1 1284 . 5 1 1 A 95 95 PRO CA C 94 62.921 62.706 0.215 1
1 1285 . 5 1 1 A 95 95 PRO CB C 94 32.774 32.409 0.365 1
1 1288 . 5 1 1 A 96 96 ILE H H 95 9.324 9.001 0.323 1
1 1289 . 5 1 1 A 96 96 ILE HA H 95 3.956 3.971 -0.015 1
1 1299 . 5 1 1 A 96 96 ILE C C 95 176.415 177.083 -0.668 1
1 1300 . 5 1 1 A 96 96 ILE CA C 95 63.880 63.671 0.209 1
1 1301 . 5 1 1 A 96 96 ILE CB C 95 38.055 37.868 0.187 1
1 1305 . 5 1 1 A 96 96 ILE N N 95 123.862 125.746 -1.884 1
1 1306 . 5 1 1 A 97 97 SER H H 96 8.211 8.085 0.126 1
1 1307 . 5 1 1 A 97 97 SER HA H 96 3.978 4.059 -0.081 1
1 1310 . 5 1 1 A 97 97 SER C C 96 176.494 176.781 -0.287 1
1 1311 . 5 1 1 A 97 97 SER CA C 96 61.576 61.429 0.147 1
1 1312 . 5 1 1 A 97 97 SER CB C 96 61.262 62.980 -1.718 1
1 1313 . 5 1 1 A 97 97 SER N N 96 116.529 117.480 -0.951 1
1 1314 . 5 1 1 A 98 98 GLU H H 97 7.329 8.022 -0.693 1
1 1315 . 5 1 1 A 98 98 GLU HA H 97 4.290 4.268 0.022 1
1 1320 . 5 1 1 A 98 98 GLU C C 97 179.288 178.888 0.400 1
1 1321 . 5 1 1 A 98 98 GLU CA C 97 58.705 59.191 -0.486 1
1 1322 . 5 1 1 A 98 98 GLU CB C 97 29.791 30.322 -0.531 1
1 1324 . 5 1 1 A 98 98 GLU N N 97 122.955 121.876 1.079 1
1 1325 . 5 1 1 A 99 99 VAL H H 98 7.386 8.326 -0.940 1
1 1326 . 5 1 1 A 99 99 VAL HA H 98 3.815 3.775 0.040 1
1 1334 . 5 1 1 A 99 99 VAL C C 98 177.662 178.085 -0.423 1
1 1335 . 5 1 1 A 99 99 VAL CA C 98 65.774 66.022 -0.248 1
1 1336 . 5 1 1 A 99 99 VAL CB C 98 32.047 31.705 0.342 1
1 1339 . 5 1 1 A 99 99 VAL N N 98 120.888 120.861 0.027 1
1 1340 . 5 1 1 A 100 100 TYR H H 99 8.984 7.974 1.010 1
1 1341 . 5 1 1 A 100 100 TYR HA H 99 4.013 4.255 -0.242 1
1 1348 . 5 1 1 A 100 100 TYR C C 99 176.355 178.100 -1.745 1
1 1349 . 5 1 1 A 100 100 TYR CA C 99 62.118 61.042 1.076 1
1 1350 . 5 1 1 A 100 100 TYR CB C 99 38.921 38.533 0.388 1
1 1353 . 5 1 1 A 100 100 TYR N N 99 118.874 120.914 -2.040 1
1 1354 . 5 1 1 A 101 101 GLU H H 100 7.433 8.741 -1.308 1
1 1355 . 5 1 1 A 101 101 GLU HA H 100 3.833 4.119 -0.286 1
1 1360 . 5 1 1 A 101 101 GLU C C 100 177.674 176.816 0.858 1
1 1361 . 5 1 1 A 101 101 GLU CA C 100 58.895 58.020 0.875 1
1 1362 . 5 1 1 A 101 101 GLU CB C 100 29.577 28.762 0.815 1
1 1364 . 5 1 1 A 101 101 GLU N N 100 114.383 117.490 -3.107 1
1 1365 . 5 1 1 A 102 102 SER H H 101 7.423 8.006 -0.583 1
1 1366 . 5 1 1 A 102 102 SER HA H 101 4.552 4.717 -0.165 1
1 1369 . 5 1 1 A 102 102 SER C C 101 176.554 174.610 1.944 1
1 1370 . 5 1 1 A 102 102 SER CA C 101 60.200 58.395 1.805 1
1 1371 . 5 1 1 A 102 102 SER CB C 101 64.828 64.230 0.598 1
1 1372 . 5 1 1 A 102 102 SER N N 101 108.722 115.256 -6.534 1
1 1373 . 5 1 1 A 103 103 GLU H H 102 8.488 7.798 0.690 1
1 1374 . 5 1 1 A 103 103 GLU HA H 102 4.752 4.503 0.249 1
1 1379 . 5 1 1 A 103 103 GLU C C 102 176.653 176.354 0.299 1
1 1380 . 5 1 1 A 103 103 GLU CA C 102 55.464 57.373 -1.909 1
1 1381 . 5 1 1 A 103 103 GLU CB C 102 30.611 32.039 -1.428 1
1 1383 . 5 1 1 A 103 103 GLU N N 102 116.116 118.659 -2.543 1
1 1384 . 5 1 1 A 104 104 ARG H H 103 7.511 7.679 -0.168 1
1 1385 . 5 1 1 A 104 104 ARG HA H 103 4.241 4.173 0.068 1
1 1392 . 5 1 1 A 104 104 ARG C C 103 174.634 174.948 -0.314 1
1 1393 . 5 1 1 A 104 104 ARG CA C 103 56.926 56.172 0.754 1
1 1394 . 5 1 1 A 104 104 ARG CB C 103 29.713 29.954 -0.241 1
1 1397 . 5 1 1 A 104 104 ARG N N 103 117.180 118.161 -0.981 1
1 1398 . 5 1 1 A 105 105 ASP H H 104 9.069 8.024 1.045 1
1 1399 . 5 1 1 A 105 105 ASP HA H 104 4.774 4.977 -0.203 1
1 1402 . 5 1 1 A 105 105 ASP C C 104 177.460 176.095 1.365 1
1 1403 . 5 1 1 A 105 105 ASP CA C 104 53.852 52.033 1.819 1
1 1404 . 5 1 1 A 105 105 ASP CB C 104 43.424 44.047 -0.623 1
1 1405 . 5 1 1 A 105 105 ASP N N 104 123.349 122.820 0.529 1
1 1406 . 5 1 1 A 106 106 GLU H H 105 8.982 8.971 0.011 1
1 1407 . 5 1 1 A 106 106 GLU HA H 105 4.199 3.998 0.201 1
1 1412 . 5 1 1 A 106 106 GLU C C 105 177.398 178.103 -0.705 1
1 1413 . 5 1 1 A 106 106 GLU CA C 105 59.413 60.108 -0.695 1
1 1414 . 5 1 1 A 106 106 GLU CB C 105 29.983 29.506 0.477 1
1 1416 . 5 1 1 A 106 106 GLU N N 105 125.197 122.580 2.617 1
1 1417 . 5 1 1 A 107 107 ASP H H 106 9.873 7.908 1.965 1
1 1418 . 5 1 1 A 107 107 ASP HA H 106 4.211 4.193 0.018 1
1 1421 . 5 1 1 A 107 107 ASP C C 106 175.775 176.727 -0.952 1
1 1422 . 5 1 1 A 107 107 ASP CA C 106 54.698 55.613 -0.915 1
1 1423 . 5 1 1 A 107 107 ASP CB C 106 40.187 40.967 -0.780 1
1 1424 . 5 1 1 A 107 107 ASP N N 106 118.717 117.051 1.666 1
1 1425 . 5 1 1 A 108 108 GLY H H 107 7.971 8.202 -0.231 1
1 1426 . 5 1 1 A 108 108 GLY HA2 H 107 3.431 3.877 -0.446 1
1 1427 . 5 1 1 A 108 108 GLY HA3 H 107 4.526 3.898 0.628 1
1 1428 . 5 1 1 A 108 108 GLY C C 107 175.138 174.219 0.919 1
1 1429 . 5 1 1 A 108 108 GLY CA C 107 45.029 45.582 -0.553 1
1 1430 . 5 1 1 A 108 108 GLY N N 107 105.017 108.530 -3.513 1
1 1431 . 5 1 1 A 109 109 PHE H H 108 9.799 7.505 2.294 1
1 1432 . 5 1 1 A 109 109 PHE HA H 108 4.607 4.852 -0.245 1
1 1440 . 5 1 1 A 109 109 PHE C C 108 175.171 174.880 0.291 1
1 1441 . 5 1 1 A 109 109 PHE CA C 108 60.222 56.573 3.649 1
1 1442 . 5 1 1 A 109 109 PHE CB C 108 40.433 42.514 -2.081 1
1 1446 . 5 1 1 A 109 109 PHE N N 108 123.309 118.847 4.462 1
1 1447 . 5 1 1 A 110 110 LEU H H 109 8.061 8.761 -0.700 1
1 1448 . 5 1 1 A 110 110 LEU HA H 109 5.022 4.396 0.626 1
1 1458 . 5 1 1 A 110 110 LEU C C 109 174.033 175.738 -1.705 1
1 1459 . 5 1 1 A 110 110 LEU CA C 109 53.539 54.779 -1.240 1
1 1460 . 5 1 1 A 110 110 LEU CB C 109 45.284 42.373 2.911 1
1 1464 . 5 1 1 A 110 110 LEU N N 109 119.999 125.115 -5.116 1
1 1465 . 5 1 1 A 111 111 TYR H H 110 9.363 9.230 0.133 1
1 1466 . 5 1 1 A 111 111 TYR HA H 110 4.906 5.044 -0.138 1
1 1473 . 5 1 1 A 111 111 TYR C C 110 176.538 174.743 1.795 1
1 1474 . 5 1 1 A 111 111 TYR CA C 110 59.335 56.533 2.802 1
1 1475 . 5 1 1 A 111 111 TYR CB C 110 39.485 40.017 -0.532 1
1 1478 . 5 1 1 A 111 111 TYR N N 110 126.322 123.382 2.940 1
1 1479 . 5 1 1 A 112 112 MET H H 111 9.496 8.473 1.023 1
1 1480 . 5 1 1 A 112 112 MET HA H 111 5.522 5.183 0.339 1
1 1488 . 5 1 1 A 112 112 MET C C 111 175.676 174.241 1.435 1
1 1489 . 5 1 1 A 112 112 MET CA C 111 54.216 54.386 -0.170 1
1 1490 . 5 1 1 A 112 112 MET CB C 111 36.821 37.183 -0.362 1
1 1493 . 5 1 1 A 112 112 MET N N 111 119.003 123.586 -4.583 1
1 1494 . 5 1 1 A 113 113 VAL H H 112 8.749 8.631 0.118 1
1 1495 . 5 1 1 A 113 113 VAL HA H 112 5.967 5.257 0.710 1
1 1503 . 5 1 1 A 113 113 VAL C C 112 174.893 174.798 0.095 1
1 1504 . 5 1 1 A 113 113 VAL CA C 112 58.896 61.025 -2.129 1
1 1505 . 5 1 1 A 113 113 VAL CB C 112 36.149 34.467 1.682 1
1 1508 . 5 1 1 A 113 113 VAL N N 112 119.658 121.666 -2.008 1
1 1509 . 5 1 1 A 114 114 TYR H H 113 8.210 8.428 -0.218 1
1 1510 . 5 1 1 A 114 114 TYR HA H 113 6.141 6.032 0.109 1
1 1517 . 5 1 1 A 114 114 TYR C C 113 173.353 173.572 -0.219 1
1 1518 . 5 1 1 A 114 114 TYR CA C 113 54.161 54.959 -0.798 1
1 1519 . 5 1 1 A 114 114 TYR CB C 113 43.538 41.799 1.739 1
1 1522 . 5 1 1 A 114 114 TYR N N 113 118.947 122.270 -3.323 1
1 1523 . 5 1 1 A 115 115 ALA H H 114 8.483 8.522 -0.039 1
1 1524 . 5 1 1 A 115 115 ALA HA H 114 4.762 4.931 -0.169 1
1 1528 . 5 1 1 A 115 115 ALA C C 114 176.033 176.076 -0.043 1
1 1529 . 5 1 1 A 115 115 ALA CA C 114 51.223 51.404 -0.181 1
1 1530 . 5 1 1 A 115 115 ALA CB C 114 24.521 22.691 1.830 1
1 1531 . 5 1 1 A 115 115 ALA N N 114 119.557 121.761 -2.204 1
1 1532 . 5 1 1 A 116 116 SER H H 115 9.835 8.566 1.269 1
1 1533 . 5 1 1 A 116 116 SER HA H 115 4.497 5.189 -0.692 1
1 1536 . 5 1 1 A 116 116 SER C C 115 172.664 173.663 -0.999 1
1 1537 . 5 1 1 A 116 116 SER CA C 115 58.669 58.441 0.228 1
1 1538 . 5 1 1 A 116 116 SER CB C 115 63.570 63.701 -0.131 1
1 1539 . 5 1 1 A 116 116 SER N N 115 114.435 113.432 1.003 1
1 1540 . 5 1 1 A 117 117 GLN H H 116 7.180 7.527 -0.347 1
1 1541 . 5 1 1 A 117 117 GLN HA H 116 4.460 4.897 -0.437 1
1 1548 . 5 1 1 A 117 117 GLN C C 116 172.901 175.306 -2.405 1
1 1549 . 5 1 1 A 117 117 GLN CA C 116 53.974 54.447 -0.473 1
1 1550 . 5 1 1 A 117 117 GLN CB C 116 32.192 32.079 0.113 1
1 1553 . 5 1 1 A 117 117 GLN N N 116 116.449 117.505 -1.056 1
1 1555 . 5 1 1 A 118 118 GLU H H 117 7.878 9.005 -1.127 1
1 1556 . 5 1 1 A 118 118 GLU HA H 117 3.259 4.538 -1.279 1
1 1561 . 5 1 1 A 118 118 GLU C C 117 175.233 176.783 -1.550 1
1 1562 . 5 1 1 A 118 118 GLU CA C 117 56.890 56.739 0.151 1
1 1563 . 5 1 1 A 118 118 GLU CB C 117 30.325 30.611 -0.286 1
1 1565 . 5 1 1 A 118 118 GLU N N 117 117.687 122.683 -4.996 1
1 1566 . 5 1 1 A 119 119 THR H H 118 6.968 7.552 -0.584 1
1 1567 . 5 1 1 A 119 119 THR HA H 118 4.082 4.470 -0.388 1
1 1572 . 5 1 1 A 119 119 THR C C 118 173.134 174.560 -1.426 1
1 1573 . 5 1 1 A 119 119 THR CA C 118 60.123 59.768 0.355 1
1 1574 . 5 1 1 A 119 119 THR CB C 118 70.147 68.731 1.416 1
1 1576 . 5 1 1 A 119 119 THR N N 118 109.548 108.024 1.524 1
1 1577 . 5 1 1 A 120 120 PHE H H 119 8.138 8.113 0.025 1
1 1578 . 5 1 1 A 120 120 PHE HA H 119 4.436 4.852 -0.416 1
1 1586 . 5 1 1 A 120 120 PHE C C 119 174.902 176.214 -1.312 1
1 1587 . 5 1 1 A 120 120 PHE CA C 119 56.750 57.272 -0.522 1
1 1588 . 5 1 1 A 120 120 PHE CB C 119 39.411 41.013 -1.602 1
1 1592 . 5 1 1 A 120 120 PHE N N 119 121.777 121.057 0.720 1
1 1607 . 5 2 2 B 2 2 SER H H 332 8.471 8.828 -0.357 1
1 1608 . 5 2 2 B 2 2 SER HA H 332 4.484 5.165 -0.681 1
1 1611 . 5 2 2 B 2 2 SER C C 332 174.962 173.797 1.165 1
1 1612 . 5 2 2 B 2 2 SER CA C 332 88.436 56.921 31.515 1
1 1613 . 5 2 2 B 2 2 SER CB C 332 93.927 66.064 27.863 1
1 1614 . 5 2 2 B 2 2 SER N N 332 147.261 117.784 29.477 1
1 1615 . 5 2 2 B 3 3 GLY H H 333 8.601 8.543 0.058 1
1 1616 . 5 2 2 B 3 3 GLY HA2 H 333 4.022 3.668 0.354 1
1 1617 . 5 2 2 B 3 3 GLY HA3 H 333 4.022 3.668 0.354 1
1 1618 . 5 2 2 B 3 3 GLY C C 333 174.774 175.486 -0.712 1
1 1619 . 5 2 2 B 3 3 GLY CA C 333 75.465 46.729 28.736 1
1 1620 . 5 2 2 B 3 3 GLY N N 333 141.077 109.865 31.212 1
1 1621 . 5 2 2 B 4 4 GLY H H 334 8.372 8.623 -0.251 1
1 1622 . 5 2 2 B 4 4 GLY HA2 H 334 3.980 4.187 -0.207 1
1 1623 . 5 2 2 B 4 4 GLY HA3 H 334 3.980 4.187 -0.207 1
1 1624 . 5 2 2 B 4 4 GLY C C 334 174.758 173.563 1.195 1
1 1625 . 5 2 2 B 4 4 GLY CA C 334 75.674 44.662 31.012 1
1 1626 . 5 2 2 B 4 4 GLY N N 334 138.894 115.291 23.603 1
1 1627 . 5 2 2 B 5 5 ASP H H 335 8.429 8.833 -0.404 1
1 1628 . 5 2 2 B 5 5 ASP HA H 335 4.610 4.880 -0.270 1
1 1631 . 5 2 2 B 5 5 ASP CA C 335 85.066 53.034 32.032 1
1 1632 . 5 2 2 B 5 5 ASP CB C 335 71.191 38.961 32.230 1
1 1633 . 5 2 2 B 5 5 ASP N N 335 149.637 123.060 26.577 1
1 1634 . 5 2 2 B 6 6 ASP H H 336 8.244 8.165 0.079 1
1 1635 . 5 2 2 B 6 6 ASP HA H 336 4.559 4.537 0.022 1
1 1638 . 5 2 2 B 6 6 ASP C C 336 175.432 176.037 -0.605 1
1 1639 . 5 2 2 B 6 6 ASP CA C 336 84.708 56.556 28.152 1
1 1640 . 5 2 2 B 6 6 ASP CB C 336 71.552 41.098 30.454 1
1 1641 . 5 2 2 B 6 6 ASP N N 336 148.885 123.815 25.070 1
1 1642 . 5 2 2 B 7 7 ASP H H 337 7.803 7.880 -0.077 1
1 1643 . 5 2 2 B 7 7 ASP HA H 337 4.655 5.008 -0.353 1
1 1646 . 5 2 2 B 7 7 ASP C C 337 175.362 174.908 0.454 1
1 1647 . 5 2 2 B 7 7 ASP CA C 337 83.670 52.594 31.076 1
1 1648 . 5 2 2 B 7 7 ASP CB C 337 71.933 43.011 28.922 1
1 1649 . 5 2 2 B 7 7 ASP N N 337 149.563 116.665 32.898 1
1 1650 . 5 2 2 B 8 8 TRP H H 338 8.472 8.317 0.155 1
1 1651 . 5 2 2 B 8 8 TRP HA H 338 4.174 4.769 -0.595 1
1 1660 . 5 2 2 B 8 8 TRP C C 338 175.959 176.325 -0.366 1
1 1661 . 5 2 2 B 8 8 TRP CA C 338 87.020 57.566 29.454 1
1 1662 . 5 2 2 B 8 8 TRP CB C 338 61.223 30.261 30.962 1
1 1668 . 5 2 2 B 8 8 TRP N N 338 150.172 125.216 24.956 1
1 1670 . 5 2 2 B 9 9 THR H H 339 7.994 8.398 -0.404 1
1 1671 . 5 2 2 B 9 9 THR HA H 339 4.533 4.457 0.076 1
1 1676 . 5 2 2 B 9 9 THR C C 339 174.035 173.659 0.376 1
1 1677 . 5 2 2 B 9 9 THR CA C 339 92.659 60.703 31.956 1
1 1678 . 5 2 2 B 9 9 THR CB C 339 99.436 70.149 29.287 1
1 1680 . 5 2 2 B 9 9 THR N N 339 149.503 115.697 33.806 1
1 1681 . 5 2 2 B 10 10 HIS H H 340 9.463 7.748 1.715 1
1 1682 . 5 2 2 B 10 10 HIS HA H 340 4.677 5.254 -0.577 1
1 1687 . 5 2 2 B 10 10 HIS C C 340 175.606 174.850 0.756 1
1 1688 . 5 2 2 B 10 10 HIS CA C 340 87.024 54.201 32.823 1
1 1689 . 5 2 2 B 10 10 HIS CB C 340 61.368 31.291 30.077 1
1 1692 . 5 2 2 B 10 10 HIS N N 340 159.135 123.746 35.389 1
1 1693 . 5 2 2 B 11 11 LEU H H 341 8.398 9.138 -0.740 1
1 1694 . 5 2 2 B 11 11 LEU HA H 341 4.848 4.787 0.061 1
1 1704 . 5 2 2 B 11 11 LEU C C 341 175.919 176.033 -0.114 1
1 1705 . 5 2 2 B 11 11 LEU CA C 341 83.684 54.183 29.501 1
1 1706 . 5 2 2 B 11 11 LEU CB C 341 73.601 42.460 31.141 1
1 1710 . 5 2 2 B 11 11 LEU N N 341 153.300 126.130 27.170 1
1 1711 . 5 2 2 B 12 12 SER H H 342 8.382 9.065 -0.683 1
1 1712 . 5 2 2 B 12 12 SER HA H 342 4.652 5.092 -0.440 1
1 1715 . 5 2 2 B 12 12 SER C C 342 174.263 174.400 -0.137 1
1 1716 . 5 2 2 B 12 12 SER CA C 342 86.841 57.614 29.227 1
1 1717 . 5 2 2 B 12 12 SER CB C 342 95.113 64.506 30.607 1
1 1718 . 5 2 2 B 12 12 SER N N 342 144.018 123.141 20.877 1
1 1719 . 5 2 2 B 13 13 SER H H 343 8.937 8.857 0.080 1
1 1720 . 5 2 2 B 13 13 SER HA H 343 4.291 4.575 -0.284 1
1 1723 . 5 2 2 B 13 13 SER C C 343 174.652 175.025 -0.373 1
1 1724 . 5 2 2 B 13 13 SER CA C 343 89.546 58.665 30.881 1
1 1725 . 5 2 2 B 13 13 SER CB C 343 93.470 63.264 30.206 1
1 1726 . 5 2 2 B 13 13 SER N N 343 148.575 122.185 26.390 1
1 1727 . 5 2 2 B 14 14 LYS H H 344 8.250 8.020 0.230 1
1 1728 . 5 2 2 B 14 14 LYS HA H 344 4.319 4.358 -0.039 1
1 1737 . 5 2 2 B 14 14 LYS C C 344 176.699 177.537 -0.838 1
1 1738 . 5 2 2 B 14 14 LYS CA C 344 86.716 57.777 28.939 1
1 1739 . 5 2 2 B 14 14 LYS CB C 344 62.831 33.595 29.236 1
1 1743 . 5 2 2 B 14 14 LYS N N 344 151.908 118.779 33.129 1
1 1744 . 5 2 2 B 15 15 GLU H H 345 8.256 7.747 0.509 1
1 1745 . 5 2 2 B 15 15 GLU HA H 345 4.240 4.374 -0.134 1
1 1750 . 5 2 2 B 15 15 GLU C C 345 176.152 176.125 0.027 1
1 1751 . 5 2 2 B 15 15 GLU CA C 345 87.152 56.764 30.388 1
1 1752 . 5 2 2 B 15 15 GLU CB C 345 60.176 30.113 30.063 1
1 1754 . 5 2 2 B 15 15 GLU N N 345 150.679 117.880 32.799 1
1 1755 . 5 2 2 B 16 16 VAL H H 346 7.762 7.370 0.392 1
1 1756 . 5 2 2 B 16 16 VAL HA H 346 4.161 4.164 -0.003 1
1 1764 . 5 2 2 B 16 16 VAL C C 346 174.646 175.743 -1.097 1
1 1765 . 5 2 2 B 16 16 VAL CA C 346 91.707 61.097 30.610 1
1 1766 . 5 2 2 B 16 16 VAL CB C 346 63.107 33.164 29.943 1
1 1769 . 5 2 2 B 16 16 VAL N N 346 146.718 116.956 29.762 1
1 9 . 6 1 1 A 2 2 MET H H 1 8.414 8.638 -0.224 1
1 10 . 6 1 1 A 2 2 MET HA H 1 4.826 4.420 0.406 1
1 18 . 6 1 1 A 2 2 MET CA C 1 53.382 57.317 -3.935 1
1 19 . 6 1 1 A 2 2 MET CB C 1 32.478 31.412 1.066 1
1 22 . 6 1 1 A 2 2 MET N N 1 122.882 124.306 -1.424 1
1 23 . 6 1 1 A 3 3 PRO HA H 2 4.425 4.395 0.030 1
1 30 . 6 1 1 A 3 3 PRO C C 2 176.847 176.439 0.408 1
1 31 . 6 1 1 A 3 3 PRO CA C 2 63.386 65.802 -2.416 1
1 32 . 6 1 1 A 3 3 PRO CB C 2 32.077 31.435 0.642 1
1 35 . 6 1 1 A 4 4 SER H H 3 8.347 7.894 0.453 1
1 36 . 6 1 1 A 4 4 SER HA H 3 4.391 4.497 -0.106 1
1 39 . 6 1 1 A 4 4 SER C C 3 174.643 174.181 0.462 1
1 40 . 6 1 1 A 4 4 SER CA C 3 58.336 60.050 -1.714 1
1 41 . 6 1 1 A 4 4 SER CB C 3 63.798 63.914 -0.116 1
1 42 . 6 1 1 A 4 4 SER N N 3 115.234 113.359 1.875 1
1 43 . 6 1 1 A 5 5 GLU H H 4 8.472 8.855 -0.383 1
1 44 . 6 1 1 A 5 5 GLU HA H 4 4.297 4.913 -0.616 1
1 49 . 6 1 1 A 5 5 GLU C C 4 176.352 175.221 1.131 1
1 50 . 6 1 1 A 5 5 GLU CA C 4 56.572 54.693 1.879 1
1 51 . 6 1 1 A 5 5 GLU CB C 4 30.285 32.776 -2.491 1
1 53 . 6 1 1 A 5 5 GLU N N 4 123.045 121.679 1.366 1
1 54 . 6 1 1 A 6 6 LYS H H 5 8.214 8.293 -0.079 1
1 55 . 6 1 1 A 6 6 LYS HA H 5 4.500 4.415 0.085 1
1 64 . 6 1 1 A 6 6 LYS C C 5 177.243 176.001 1.242 1
1 65 . 6 1 1 A 6 6 LYS CA C 5 55.943 56.488 -0.545 1
1 66 . 6 1 1 A 6 6 LYS CB C 5 34.621 33.414 1.207 1
1 70 . 6 1 1 A 6 6 LYS N N 5 121.467 121.317 0.150 1
1 71 . 6 1 1 A 7 7 THR H H 6 8.431 8.128 0.303 1
1 72 . 6 1 1 A 7 7 THR HA H 6 4.383 4.748 -0.365 1
1 77 . 6 1 1 A 7 7 THR C C 6 175.360 175.520 -0.160 1
1 78 . 6 1 1 A 7 7 THR CA C 6 61.124 59.369 1.755 1
1 79 . 6 1 1 A 7 7 THR CB C 6 69.863 70.845 -0.982 1
1 81 . 6 1 1 A 7 7 THR N N 6 114.691 114.389 0.302 1
1 82 . 6 1 1 A 8 8 PHE H H 7 10.194 9.297 0.897 1
1 83 . 6 1 1 A 8 8 PHE HA H 7 3.904 4.215 -0.311 1
1 88 . 6 1 1 A 8 8 PHE C C 7 177.000 177.491 -0.491 1
1 89 . 6 1 1 A 8 8 PHE CA C 7 63.388 60.562 2.826 1
1 90 . 6 1 1 A 8 8 PHE CB C 7 39.586 38.825 0.761 1
1 92 . 6 1 1 A 8 8 PHE N N 7 124.861 128.047 -3.186 1
1 93 . 6 1 1 A 9 9 LYS H H 8 8.707 8.242 0.465 1
1 94 . 6 1 1 A 9 9 LYS HA H 8 3.761 3.917 -0.156 1
1 103 . 6 1 1 A 9 9 LYS C C 8 177.496 178.779 -1.283 1
1 104 . 6 1 1 A 9 9 LYS CA C 8 59.945 58.889 1.056 1
1 105 . 6 1 1 A 9 9 LYS CB C 8 33.870 31.525 2.345 1
1 109 . 6 1 1 A 9 9 LYS N N 8 114.189 117.203 -3.014 1
1 110 . 6 1 1 A 10 10 GLN H H 9 7.284 8.119 -0.835 1
1 111 . 6 1 1 A 10 10 GLN HA H 9 4.113 4.089 0.024 1
1 118 . 6 1 1 A 10 10 GLN C C 9 177.416 178.129 -0.713 1
1 119 . 6 1 1 A 10 10 GLN CA C 9 56.743 58.313 -1.570 1
1 120 . 6 1 1 A 10 10 GLN CB C 9 30.002 28.974 1.028 1
1 123 . 6 1 1 A 10 10 GLN N N 9 112.843 118.988 -6.145 1
1 125 . 6 1 1 A 11 11 ARG H H 10 7.889 8.480 -0.591 1
1 126 . 6 1 1 A 11 11 ARG HA H 10 4.255 3.949 0.306 1
1 133 . 6 1 1 A 11 11 ARG C C 10 175.059 176.780 -1.721 1
1 134 . 6 1 1 A 11 11 ARG CA C 10 57.018 59.561 -2.543 1
1 135 . 6 1 1 A 11 11 ARG CB C 10 31.628 30.267 1.361 1
1 138 . 6 1 1 A 11 11 ARG N N 10 117.567 121.243 -3.676 1
1 139 . 6 1 1 A 12 12 ARG H H 11 7.443 7.830 -0.387 1
1 140 . 6 1 1 A 12 12 ARG HA H 11 4.493 4.311 0.182 1
1 147 . 6 1 1 A 12 12 ARG CA C 11 54.172 57.275 -3.103 1
1 148 . 6 1 1 A 12 12 ARG CB C 11 32.857 30.560 2.297 1
1 151 . 6 1 1 A 12 12 ARG N N 11 122.786 120.370 2.416 1
1 152 . 6 1 1 A 13 13 SER HA H 12 4.403 4.475 -0.072 1
1 155 . 6 1 1 A 13 13 SER C C 12 174.222 175.479 -1.257 1
1 156 . 6 1 1 A 13 13 SER CA C 12 58.274 59.884 -1.610 1
1 157 . 6 1 1 A 13 13 SER CB C 12 64.821 63.251 1.570 1
1 158 . 6 1 1 A 14 14 PHE H H 13 9.239 9.099 0.140 1
1 159 . 6 1 1 A 14 14 PHE HA H 13 4.035 4.092 -0.057 1
1 165 . 6 1 1 A 14 14 PHE C C 13 176.023 177.157 -1.134 1
1 166 . 6 1 1 A 14 14 PHE CA C 13 62.790 62.727 0.063 1
1 167 . 6 1 1 A 14 14 PHE CB C 13 39.580 39.691 -0.111 1
1 169 . 6 1 1 A 14 14 PHE N N 13 123.729 127.504 -3.775 1
1 170 . 6 1 1 A 15 15 GLU H H 14 9.093 8.417 0.676 1
1 171 . 6 1 1 A 15 15 GLU HA H 14 3.813 4.079 -0.266 1
1 176 . 6 1 1 A 15 15 GLU C C 14 179.549 178.670 0.879 1
1 177 . 6 1 1 A 15 15 GLU CA C 14 60.444 59.130 1.314 1
1 178 . 6 1 1 A 15 15 GLU CB C 14 28.804 29.362 -0.558 1
1 180 . 6 1 1 A 15 15 GLU N N 14 115.336 117.937 -2.601 1
1 181 . 6 1 1 A 16 16 GLN H H 15 7.752 8.265 -0.513 1
1 182 . 6 1 1 A 16 16 GLN HA H 15 4.044 4.022 0.022 1
1 189 . 6 1 1 A 16 16 GLN C C 15 177.931 178.194 -0.263 1
1 190 . 6 1 1 A 16 16 GLN CA C 15 58.486 58.979 -0.493 1
1 191 . 6 1 1 A 16 16 GLN CB C 15 29.393 28.437 0.956 1
1 194 . 6 1 1 A 16 16 GLN N N 15 119.145 119.782 -0.637 1
1 196 . 6 1 1 A 17 17 ARG H H 16 8.577 8.238 0.339 1
1 197 . 6 1 1 A 17 17 ARG HA H 16 4.280 4.238 0.042 1
1 202 . 6 1 1 A 17 17 ARG C C 16 177.128 179.155 -2.027 1
1 203 . 6 1 1 A 17 17 ARG CA C 16 61.442 59.117 2.325 1
1 204 . 6 1 1 A 17 17 ARG N N 16 121.288 118.915 2.373 1
1 205 . 6 1 1 A 18 18 VAL H H 17 8.329 8.147 0.182 1
1 206 . 6 1 1 A 18 18 VAL HA H 17 3.938 3.529 0.409 1
1 214 . 6 1 1 A 18 18 VAL C C 17 179.744 177.751 1.993 1
1 215 . 6 1 1 A 18 18 VAL CA C 17 65.441 66.427 -0.986 1
1 216 . 6 1 1 A 18 18 VAL CB C 17 32.080 31.600 0.480 1
1 219 . 6 1 1 A 18 18 VAL N N 17 116.752 120.150 -3.398 1
1 220 . 6 1 1 A 19 19 GLU H H 18 7.445 8.724 -1.279 1
1 221 . 6 1 1 A 19 19 GLU HA H 18 4.270 3.869 0.401 1
1 226 . 6 1 1 A 19 19 GLU C C 18 177.625 178.214 -0.589 1
1 227 . 6 1 1 A 19 19 GLU CA C 18 58.637 59.789 -1.152 1
1 228 . 6 1 1 A 19 19 GLU CB C 18 29.398 29.354 0.044 1
1 230 . 6 1 1 A 19 19 GLU N N 18 120.323 120.529 -0.206 1
1 231 . 6 1 1 A 20 20 ASP H H 19 8.690 8.549 0.141 1
1 232 . 6 1 1 A 20 20 ASP HA H 19 4.514 4.410 0.104 1
1 235 . 6 1 1 A 20 20 ASP C C 19 179.877 178.660 1.217 1
1 236 . 6 1 1 A 20 20 ASP CA C 19 57.224 57.480 -0.256 1
1 237 . 6 1 1 A 20 20 ASP CB C 19 41.487 41.789 -0.302 1
1 238 . 6 1 1 A 20 20 ASP N N 19 120.313 120.477 -0.164 1
1 239 . 6 1 1 A 21 21 VAL H H 20 7.731 7.855 -0.124 1
1 240 . 6 1 1 A 21 21 VAL HA H 20 3.394 3.219 0.175 1
1 248 . 6 1 1 A 21 21 VAL C C 20 176.989 178.020 -1.031 1
1 249 . 6 1 1 A 21 21 VAL CA C 20 65.989 66.438 -0.449 1
1 250 . 6 1 1 A 21 21 VAL CB C 20 31.291 31.452 -0.161 1
1 253 . 6 1 1 A 21 21 VAL N N 20 119.119 119.797 -0.678 1
1 254 . 6 1 1 A 22 22 ARG H H 21 8.313 7.814 0.499 1
1 255 . 6 1 1 A 22 22 ARG HA H 21 3.825 3.989 -0.164 1
1 263 . 6 1 1 A 22 22 ARG C C 21 180.178 178.499 1.679 1
1 264 . 6 1 1 A 22 22 ARG CA C 21 59.821 59.591 0.230 1
1 265 . 6 1 1 A 22 22 ARG CB C 21 30.164 29.826 0.338 1
1 269 . 6 1 1 A 22 22 ARG N N 21 120.772 120.314 0.458 1
1 271 . 6 1 1 A 23 23 LEU H H 22 8.306 7.700 0.606 1
1 272 . 6 1 1 A 23 23 LEU HA H 22 4.076 3.985 0.091 1
1 282 . 6 1 1 A 23 23 LEU C C 22 180.221 179.327 0.894 1
1 283 . 6 1 1 A 23 23 LEU CA C 22 57.541 57.915 -0.374 1
1 284 . 6 1 1 A 23 23 LEU CB C 22 42.300 41.946 0.354 1
1 288 . 6 1 1 A 23 23 LEU N N 22 116.413 119.280 -2.867 1
1 289 . 6 1 1 A 24 24 ILE H H 23 7.864 8.133 -0.269 1
1 290 . 6 1 1 A 24 24 ILE HA H 23 4.090 3.735 0.355 1
1 300 . 6 1 1 A 24 24 ILE C C 23 177.922 178.403 -0.481 1
1 301 . 6 1 1 A 24 24 ILE CA C 23 60.190 64.620 -4.430 1
1 302 . 6 1 1 A 24 24 ILE CB C 23 38.072 37.303 0.769 1
1 306 . 6 1 1 A 24 24 ILE N N 23 121.259 118.594 2.665 1
1 307 . 6 1 1 A 25 25 ARG H H 24 8.339 8.308 0.031 1
1 308 . 6 1 1 A 25 25 ARG HA H 24 3.973 3.998 -0.025 1
1 316 . 6 1 1 A 25 25 ARG C C 24 178.479 178.278 0.201 1
1 317 . 6 1 1 A 25 25 ARG CA C 24 57.337 59.357 -2.020 1
1 318 . 6 1 1 A 25 25 ARG CB C 24 28.663 29.918 -1.255 1
1 322 . 6 1 1 A 25 25 ARG N N 24 121.816 122.363 -0.547 1
1 324 . 6 1 1 A 26 26 GLU H H 25 7.133 8.361 -1.228 1
1 325 . 6 1 1 A 26 26 GLU HA H 25 4.052 4.261 -0.209 1
1 330 . 6 1 1 A 26 26 GLU C C 25 178.158 176.752 1.406 1
1 331 . 6 1 1 A 26 26 GLU CA C 25 58.367 57.275 1.092 1
1 332 . 6 1 1 A 26 26 GLU CB C 25 29.903 30.097 -0.194 1
1 334 . 6 1 1 A 26 26 GLU N N 25 116.794 117.202 -0.408 1
1 335 . 6 1 1 A 27 27 GLN H H 26 7.283 7.859 -0.576 1
1 336 . 6 1 1 A 27 27 GLN HA H 26 3.888 4.357 -0.469 1
1 343 . 6 1 1 A 27 27 GLN C C 26 176.088 175.846 0.242 1
1 344 . 6 1 1 A 27 27 GLN CA C 26 57.676 57.184 0.492 1
1 345 . 6 1 1 A 27 27 GLN CB C 26 30.382 30.556 -0.174 1
1 348 . 6 1 1 A 27 27 GLN N N 26 116.373 117.979 -1.606 1
1 350 . 6 1 1 A 28 28 HIS H H 27 8.223 8.601 -0.378 1
1 351 . 6 1 1 A 28 28 HIS HA H 27 4.941 5.077 -0.136 1
1 356 . 6 1 1 A 28 28 HIS CA C 27 53.278 53.158 0.120 1
1 357 . 6 1 1 A 28 28 HIS CB C 27 30.933 29.849 1.084 1
1 360 . 6 1 1 A 28 28 HIS N N 27 115.408 116.170 -0.762 1
1 361 . 6 1 1 A 29 29 PRO HA H 28 4.562 4.370 0.192 1
1 368 . 6 1 1 A 29 29 PRO C C 28 178.046 177.470 0.576 1
1 369 . 6 1 1 A 29 29 PRO CA C 28 64.821 64.491 0.330 1
1 370 . 6 1 1 A 29 29 PRO CB C 28 32.447 31.980 0.467 1
1 373 . 6 1 1 A 30 30 THR H H 29 7.820 7.788 0.032 1
1 374 . 6 1 1 A 30 30 THR HA H 29 4.583 4.361 0.222 1
1 379 . 6 1 1 A 30 30 THR C C 29 172.723 173.360 -0.637 1
1 380 . 6 1 1 A 30 30 THR CA C 29 60.826 61.506 -0.680 1
1 381 . 6 1 1 A 30 30 THR CB C 29 68.641 69.018 -0.377 1
1 383 . 6 1 1 A 30 30 THR N N 29 106.682 107.714 -1.032 1
1 384 . 6 1 1 A 31 31 LYS H H 30 7.453 7.498 -0.045 1
1 385 . 6 1 1 A 31 31 LYS HA H 30 4.850 4.993 -0.143 1
1 394 . 6 1 1 A 31 31 LYS C C 30 174.296 174.909 -0.613 1
1 395 . 6 1 1 A 31 31 LYS CA C 30 53.944 54.507 -0.563 1
1 396 . 6 1 1 A 31 31 LYS CB C 30 36.098 36.818 -0.720 1
1 400 . 6 1 1 A 31 31 LYS N N 30 117.809 120.428 -2.619 1
1 401 . 6 1 1 A 32 32 ILE H H 31 9.265 9.328 -0.063 1
1 402 . 6 1 1 A 32 32 ILE HA H 31 4.106 4.193 -0.087 1
1 412 . 6 1 1 A 32 32 ILE CA C 31 54.606 57.640 -3.034 1
1 413 . 6 1 1 A 32 32 ILE CB C 31 38.448 38.394 0.054 1
1 417 . 6 1 1 A 32 32 ILE N N 31 122.497 123.195 -0.698 1
1 418 . 6 1 1 A 33 33 PRO HA H 32 5.252 4.844 0.408 1
1 425 . 6 1 1 A 33 33 PRO C C 32 174.652 176.717 -2.065 1
1 426 . 6 1 1 A 33 33 PRO CA C 32 61.704 62.557 -0.853 1
1 427 . 6 1 1 A 33 33 PRO CB C 32 31.873 31.671 0.202 1
1 430 . 6 1 1 A 34 34 VAL H H 33 9.359 8.112 1.247 1
1 431 . 6 1 1 A 34 34 VAL HA H 33 5.298 5.107 0.191 1
1 439 . 6 1 1 A 34 34 VAL C C 33 173.633 174.954 -1.321 1
1 440 . 6 1 1 A 34 34 VAL CA C 33 59.830 59.468 0.362 1
1 441 . 6 1 1 A 34 34 VAL CB C 33 36.154 36.097 0.057 1
1 444 . 6 1 1 A 34 34 VAL N N 33 124.496 116.894 7.602 1
1 445 . 6 1 1 A 35 35 ILE H H 34 8.667 9.264 -0.597 1
1 446 . 6 1 1 A 35 35 ILE HA H 34 4.867 4.698 0.169 1
1 456 . 6 1 1 A 35 35 ILE C C 34 175.770 174.882 0.888 1
1 457 . 6 1 1 A 35 35 ILE CA C 34 56.320 60.386 -4.066 1
1 458 . 6 1 1 A 35 35 ILE CB C 34 36.909 39.313 -2.404 1
1 462 . 6 1 1 A 35 35 ILE N N 34 127.447 122.966 4.481 1
1 463 . 6 1 1 A 36 36 ILE H H 35 8.422 8.849 -0.427 1
1 464 . 6 1 1 A 36 36 ILE HA H 35 4.890 5.275 -0.385 1
1 474 . 6 1 1 A 36 36 ILE C C 35 175.098 174.943 0.155 1
1 475 . 6 1 1 A 36 36 ILE CA C 35 60.806 60.556 0.250 1
1 476 . 6 1 1 A 36 36 ILE CB C 35 39.357 38.749 0.608 1
1 480 . 6 1 1 A 36 36 ILE N N 35 124.267 128.772 -4.505 1
1 481 . 6 1 1 A 37 37 GLU H H 36 8.335 8.806 -0.471 1
1 482 . 6 1 1 A 37 37 GLU HA H 36 4.820 4.936 -0.116 1
1 487 . 6 1 1 A 37 37 GLU C C 36 173.502 175.271 -1.769 1
1 488 . 6 1 1 A 37 37 GLU CA C 36 54.214 53.903 0.311 1
1 489 . 6 1 1 A 37 37 GLU CB C 36 35.547 31.955 3.592 1
1 491 . 6 1 1 A 37 37 GLU N N 36 123.296 124.622 -1.326 1
1 492 . 6 1 1 A 38 38 ARG H H 37 8.891 8.035 0.856 1
1 493 . 6 1 1 A 38 38 ARG HA H 37 2.755 3.637 -0.882 1
1 501 . 6 1 1 A 38 38 ARG C C 37 176.165 175.223 0.942 1
1 502 . 6 1 1 A 38 38 ARG CA C 37 56.235 55.814 0.421 1
1 503 . 6 1 1 A 38 38 ARG CB C 37 31.328 30.626 0.702 1
1 507 . 6 1 1 A 38 38 ARG N N 37 123.143 120.230 2.913 1
1 509 . 6 1 1 A 39 39 TYR H H 38 8.681 8.026 0.655 1
1 510 . 6 1 1 A 39 39 TYR HA H 38 4.331 4.520 -0.189 1
1 517 . 6 1 1 A 39 39 TYR C C 38 177.064 175.554 1.510 1
1 518 . 6 1 1 A 39 39 TYR CA C 38 57.769 59.227 -1.458 1
1 519 . 6 1 1 A 39 39 TYR CB C 38 39.552 39.023 0.529 1
1 522 . 6 1 1 A 39 39 TYR N N 38 128.699 122.730 5.969 1
1 523 . 6 1 1 A 40 40 LYS H H 39 8.454 7.780 0.674 1
1 524 . 6 1 1 A 40 40 LYS HA H 39 3.841 4.038 -0.197 1
1 533 . 6 1 1 A 40 40 LYS C C 39 176.290 177.126 -0.836 1
1 534 . 6 1 1 A 40 40 LYS CA C 39 58.772 57.139 1.633 1
1 535 . 6 1 1 A 40 40 LYS CB C 39 31.738 30.907 0.831 1
1 539 . 6 1 1 A 40 40 LYS N N 39 130.022 125.344 4.678 1
1 540 . 6 1 1 A 41 41 GLY H H 40 5.457 8.443 -2.986 1
1 541 . 6 1 1 A 41 41 GLY HA2 H 40 3.306 4.033 -0.727 1
1 542 . 6 1 1 A 41 41 GLY HA3 H 40 3.999 4.102 -0.103 1
1 543 . 6 1 1 A 41 41 GLY C C 40 173.426 173.922 -0.496 1
1 544 . 6 1 1 A 41 41 GLY CA C 40 44.673 45.370 -0.697 1
1 545 . 6 1 1 A 41 41 GLY N N 40 104.628 113.135 -8.507 1
1 546 . 6 1 1 A 42 42 GLU H H 41 7.440 7.628 -0.188 1
1 547 . 6 1 1 A 42 42 GLU HA H 41 4.278 4.638 -0.360 1
1 552 . 6 1 1 A 42 42 GLU C C 41 176.306 176.688 -0.382 1
1 553 . 6 1 1 A 42 42 GLU CA C 41 56.358 55.169 1.189 1
1 554 . 6 1 1 A 42 42 GLU CB C 41 31.014 31.119 -0.105 1
1 556 . 6 1 1 A 42 42 GLU N N 41 122.648 120.338 2.310 1
1 557 . 6 1 1 A 43 43 LYS H H 42 8.912 8.451 0.461 1
1 558 . 6 1 1 A 43 43 LYS HA H 42 4.680 4.719 -0.039 1
1 567 . 6 1 1 A 43 43 LYS C C 42 177.063 178.473 -1.410 1
1 568 . 6 1 1 A 43 43 LYS CA C 42 55.652 56.992 -1.340 1
1 569 . 6 1 1 A 43 43 LYS CB C 42 34.871 33.780 1.091 1
1 573 . 6 1 1 A 43 43 LYS N N 42 123.569 122.935 0.634 1
1 574 . 6 1 1 A 44 44 GLN H H 43 8.446 8.163 0.283 1
1 575 . 6 1 1 A 44 44 GLN HA H 43 4.545 4.040 0.505 1
1 582 . 6 1 1 A 44 44 GLN C C 43 177.152 177.048 0.104 1
1 583 . 6 1 1 A 44 44 GLN CA C 43 57.561 58.578 -1.017 1
1 584 . 6 1 1 A 44 44 GLN CB C 43 30.671 28.633 2.038 1
1 587 . 6 1 1 A 44 44 GLN N N 43 118.990 118.297 0.693 1
1 589 . 6 1 1 A 45 45 LEU H H 44 9.043 8.088 0.955 1
1 590 . 6 1 1 A 45 45 LEU HA H 44 4.716 4.463 0.253 1
1 600 . 6 1 1 A 45 45 LEU CA C 44 53.078 53.963 -0.885 1
1 601 . 6 1 1 A 45 45 LEU CB C 44 43.614 41.177 2.437 1
1 605 . 6 1 1 A 45 45 LEU N N 44 120.375 120.259 0.116 1
1 606 . 6 1 1 A 46 46 PRO HA H 45 4.723 4.637 0.086 1
1 613 . 6 1 1 A 46 46 PRO C C 45 175.883 176.146 -0.263 1
1 614 . 6 1 1 A 46 46 PRO CA C 45 62.005 62.256 -0.251 1
1 615 . 6 1 1 A 46 46 PRO CB C 45 32.609 32.400 0.209 1
1 618 . 6 1 1 A 47 47 VAL H H 46 8.437 8.486 -0.049 1
1 619 . 6 1 1 A 47 47 VAL HA H 46 3.914 4.395 -0.481 1
1 627 . 6 1 1 A 47 47 VAL C C 46 175.367 176.022 -0.655 1
1 628 . 6 1 1 A 47 47 VAL CA C 46 62.700 61.988 0.712 1
1 629 . 6 1 1 A 47 47 VAL CB C 46 32.927 31.755 1.172 1
1 632 . 6 1 1 A 47 47 VAL N N 46 118.440 121.671 -3.231 1
1 633 . 6 1 1 A 48 48 LEU H H 47 7.863 8.313 -0.450 1
1 634 . 6 1 1 A 48 48 LEU HA H 47 4.384 4.084 0.300 1
1 644 . 6 1 1 A 48 48 LEU C C 47 176.088 177.818 -1.730 1
1 645 . 6 1 1 A 48 48 LEU CA C 47 54.851 55.999 -1.148 1
1 646 . 6 1 1 A 48 48 LEU CB C 47 43.841 44.126 -0.285 1
1 650 . 6 1 1 A 48 48 LEU N N 47 129.127 129.581 -0.454 1
1 651 . 6 1 1 A 49 49 ASP H H 48 8.699 8.951 -0.252 1
1 652 . 6 1 1 A 49 49 ASP HA H 48 4.293 4.281 0.012 1
1 655 . 6 1 1 A 49 49 ASP C C 48 175.121 175.838 -0.717 1
1 656 . 6 1 1 A 49 49 ASP CA C 48 55.717 57.714 -1.997 1
1 657 . 6 1 1 A 49 49 ASP CB C 48 40.260 41.097 -0.837 1
1 658 . 6 1 1 A 49 49 ASP N N 48 121.389 125.469 -4.080 1
1 659 . 6 1 1 A 50 50 LYS H H 49 7.251 7.643 -0.392 1
1 660 . 6 1 1 A 50 50 LYS HA H 49 4.540 4.766 -0.226 1
1 669 . 6 1 1 A 50 50 LYS C C 49 174.664 175.815 -1.151 1
1 670 . 6 1 1 A 50 50 LYS CA C 49 53.211 54.198 -0.987 1
1 671 . 6 1 1 A 50 50 LYS CB C 49 35.514 35.551 -0.037 1
1 675 . 6 1 1 A 50 50 LYS N N 49 118.260 116.253 2.007 1
1 676 . 6 1 1 A 51 51 THR H H 50 8.162 7.985 0.177 1
1 677 . 6 1 1 A 51 51 THR HA H 50 4.685 4.463 0.222 1
1 682 . 6 1 1 A 51 51 THR C C 50 171.631 174.201 -2.570 1
1 683 . 6 1 1 A 51 51 THR CA C 50 63.581 62.749 0.832 1
1 684 . 6 1 1 A 51 51 THR CB C 50 71.587 70.576 1.011 1
1 686 . 6 1 1 A 51 51 THR N N 50 112.535 113.393 -0.858 1
1 687 . 6 1 1 A 52 52 LYS H H 51 6.971 7.328 -0.357 1
1 688 . 6 1 1 A 52 52 LYS HA H 51 4.443 4.520 -0.077 1
1 697 . 6 1 1 A 52 52 LYS C C 51 175.417 175.440 -0.023 1
1 698 . 6 1 1 A 52 52 LYS CA C 51 55.209 55.246 -0.037 1
1 699 . 6 1 1 A 52 52 LYS CB C 51 33.309 33.635 -0.326 1
1 703 . 6 1 1 A 52 52 LYS N N 51 120.227 118.169 2.058 1
1 704 . 6 1 1 A 53 53 PHE H H 52 9.688 8.955 0.733 1
1 705 . 6 1 1 A 53 53 PHE HA H 52 5.675 4.942 0.733 1
1 712 . 6 1 1 A 53 53 PHE C C 52 174.348 174.559 -0.211 1
1 713 . 6 1 1 A 53 53 PHE CA C 52 56.625 56.725 -0.100 1
1 714 . 6 1 1 A 53 53 PHE CB C 52 43.109 42.670 0.439 1
1 716 . 6 1 1 A 53 53 PHE N N 52 124.646 122.050 2.596 1
1 717 . 6 1 1 A 54 54 LEU H H 53 8.470 9.056 -0.586 1
1 718 . 6 1 1 A 54 54 LEU HA H 53 5.044 4.897 0.147 1
1 728 . 6 1 1 A 54 54 LEU C C 53 176.144 176.157 -0.013 1
1 729 . 6 1 1 A 54 54 LEU CA C 53 52.954 53.567 -0.613 1
1 730 . 6 1 1 A 54 54 LEU CB C 53 45.081 42.240 2.841 1
1 734 . 6 1 1 A 54 54 LEU N N 53 119.430 124.152 -4.722 1
1 735 . 6 1 1 A 55 55 VAL H H 54 8.802 8.566 0.236 1
1 736 . 6 1 1 A 55 55 VAL HA H 54 4.640 4.448 0.192 1
1 744 . 6 1 1 A 55 55 VAL CA C 54 58.549 59.930 -1.381 1
1 745 . 6 1 1 A 55 55 VAL CB C 54 35.342 31.784 3.558 1
1 748 . 6 1 1 A 55 55 VAL N N 54 123.841 125.945 -2.104 1
1 749 . 6 1 1 A 56 56 PRO HA H 55 4.439 4.677 -0.238 1
1 756 . 6 1 1 A 56 56 PRO C C 55 176.666 176.508 0.158 1
1 757 . 6 1 1 A 56 56 PRO CA C 55 64.256 62.103 2.153 1
1 758 . 6 1 1 A 56 56 PRO CB C 55 32.783 31.459 1.324 1
1 761 . 6 1 1 A 57 57 ASP H H 56 8.412 7.942 0.470 1
1 762 . 6 1 1 A 57 57 ASP HA H 56 3.848 4.477 -0.629 1
1 765 . 6 1 1 A 57 57 ASP C C 56 175.417 176.560 -1.143 1
1 766 . 6 1 1 A 57 57 ASP CA C 56 56.616 53.936 2.680 1
1 767 . 6 1 1 A 57 57 ASP CB C 56 40.410 39.746 0.664 1
1 768 . 6 1 1 A 57 57 ASP N N 56 120.415 123.416 -3.001 1
1 769 . 6 1 1 A 58 58 HIS H H 57 7.373 7.980 -0.607 1
1 770 . 6 1 1 A 58 58 HIS HA H 57 4.770 4.846 -0.076 1
1 775 . 6 1 1 A 58 58 HIS C C 57 176.594 174.141 2.453 1
1 776 . 6 1 1 A 58 58 HIS CA C 57 55.584 55.020 0.564 1
1 777 . 6 1 1 A 58 58 HIS CB C 57 30.628 30.992 -0.364 1
1 780 . 6 1 1 A 58 58 HIS N N 57 113.439 114.203 -0.764 1
1 781 . 6 1 1 A 59 59 VAL H H 58 7.249 7.587 -0.338 1
1 782 . 6 1 1 A 59 59 VAL HA H 58 3.903 4.815 -0.912 1
1 790 . 6 1 1 A 59 59 VAL C C 58 175.014 174.175 0.839 1
1 791 . 6 1 1 A 59 59 VAL CA C 58 62.726 59.111 3.615 1
1 792 . 6 1 1 A 59 59 VAL CB C 58 32.190 35.904 -3.714 1
1 795 . 6 1 1 A 59 59 VAL N N 58 122.597 115.738 6.859 1
1 796 . 6 1 1 A 60 60 ASN H H 59 8.677 8.645 0.032 1
1 797 . 6 1 1 A 60 60 ASN HA H 59 5.187 5.259 -0.072 1
1 802 . 6 1 1 A 60 60 ASN C C 59 176.477 176.493 -0.016 1
1 803 . 6 1 1 A 60 60 ASN CA C 59 51.181 51.870 -0.689 1
1 804 . 6 1 1 A 60 60 ASN CB C 59 39.947 41.406 -1.459 1
1 806 . 6 1 1 A 60 60 ASN N N 59 122.962 119.021 3.941 1
1 808 . 6 1 1 A 61 61 MET H H 60 8.038 8.477 -0.439 1
1 809 . 6 1 1 A 61 61 MET HA H 60 4.426 4.207 0.219 1
1 817 . 6 1 1 A 61 61 MET C C 60 177.996 178.527 -0.531 1
1 818 . 6 1 1 A 61 61 MET CA C 60 57.118 58.025 -0.907 1
1 819 . 6 1 1 A 61 61 MET CB C 60 29.998 32.186 -2.188 1
1 822 . 6 1 1 A 61 61 MET N N 60 116.814 122.308 -5.494 1
1 823 . 6 1 1 A 62 62 SER H H 61 8.401 8.193 0.208 1
1 824 . 6 1 1 A 62 62 SER HA H 61 4.132 4.118 0.014 1
1 827 . 6 1 1 A 62 62 SER C C 61 177.255 177.083 0.172 1
1 828 . 6 1 1 A 62 62 SER CA C 61 61.559 61.430 0.129 1
1 829 . 6 1 1 A 62 62 SER CB C 61 62.430 63.089 -0.659 1
1 830 . 6 1 1 A 62 62 SER N N 61 114.109 115.904 -1.795 1
1 831 . 6 1 1 A 63 63 GLU H H 62 8.014 7.850 0.164 1
1 832 . 6 1 1 A 63 63 GLU HA H 62 4.016 3.973 0.043 1
1 837 . 6 1 1 A 63 63 GLU C C 62 178.327 178.894 -0.567 1
1 838 . 6 1 1 A 63 63 GLU CA C 62 58.787 59.430 -0.643 1
1 839 . 6 1 1 A 63 63 GLU CB C 62 29.814 29.187 0.627 1
1 841 . 6 1 1 A 63 63 GLU N N 62 122.806 121.411 1.395 1
1 842 . 6 1 1 A 64 64 LEU H H 63 8.254 8.178 0.076 1
1 843 . 6 1 1 A 64 64 LEU HA H 63 3.932 3.951 -0.019 1
1 853 . 6 1 1 A 64 64 LEU C C 63 178.029 178.577 -0.548 1
1 854 . 6 1 1 A 64 64 LEU CA C 63 57.986 58.234 -0.248 1
1 855 . 6 1 1 A 64 64 LEU CB C 63 41.377 41.822 -0.445 1
1 859 . 6 1 1 A 64 64 LEU N N 63 120.526 121.865 -1.339 1
1 860 . 6 1 1 A 65 65 ILE H H 64 8.415 8.386 0.029 1
1 861 . 6 1 1 A 65 65 ILE HA H 64 3.377 3.642 -0.265 1
1 871 . 6 1 1 A 65 65 ILE C C 64 177.078 177.937 -0.859 1
1 872 . 6 1 1 A 65 65 ILE CA C 64 66.699 65.801 0.898 1
1 873 . 6 1 1 A 65 65 ILE CB C 64 38.128 38.112 0.016 1
1 877 . 6 1 1 A 65 65 ILE N N 64 118.349 120.038 -1.689 1
1 878 . 6 1 1 A 66 66 LYS H H 65 7.366 7.887 -0.521 1
1 879 . 6 1 1 A 66 66 LYS HA H 65 3.696 3.987 -0.291 1
1 888 . 6 1 1 A 66 66 LYS C C 65 179.260 179.253 0.007 1
1 889 . 6 1 1 A 66 66 LYS CA C 65 60.593 59.780 0.813 1
1 890 . 6 1 1 A 66 66 LYS CB C 65 32.421 32.166 0.255 1
1 894 . 6 1 1 A 66 66 LYS N N 65 118.334 118.980 -0.646 1
1 895 . 6 1 1 A 67 67 ILE H H 66 8.179 8.185 -0.006 1
1 896 . 6 1 1 A 67 67 ILE HA H 66 3.546 3.631 -0.085 1
1 906 . 6 1 1 A 67 67 ILE C C 66 178.784 178.577 0.207 1
1 907 . 6 1 1 A 67 67 ILE CA C 66 65.488 65.147 0.341 1
1 908 . 6 1 1 A 67 67 ILE CB C 66 38.593 37.424 1.169 1
1 912 . 6 1 1 A 67 67 ILE N N 66 119.791 120.363 -0.572 1
1 913 . 6 1 1 A 68 68 ILE H H 67 8.279 8.249 0.030 1
1 914 . 6 1 1 A 68 68 ILE HA H 67 3.391 3.306 0.085 1
1 924 . 6 1 1 A 68 68 ILE C C 67 177.403 177.621 -0.218 1
1 925 . 6 1 1 A 68 68 ILE CA C 67 63.144 64.694 -1.550 1
1 926 . 6 1 1 A 68 68 ILE CB C 67 35.269 37.450 -2.181 1
1 930 . 6 1 1 A 68 68 ILE N N 67 120.267 121.338 -1.071 1
1 931 . 6 1 1 A 69 69 ARG H H 68 8.454 8.071 0.383 1
1 932 . 6 1 1 A 69 69 ARG HA H 68 2.966 3.382 -0.416 1
1 939 . 6 1 1 A 69 69 ARG C C 68 178.385 177.735 0.650 1
1 940 . 6 1 1 A 69 69 ARG CA C 68 60.642 58.453 2.189 1
1 941 . 6 1 1 A 69 69 ARG CB C 68 30.442 29.708 0.734 1
1 944 . 6 1 1 A 69 69 ARG N N 68 118.881 119.945 -1.064 1
1 945 . 6 1 1 A 70 70 ARG H H 69 7.492 7.623 -0.131 1
1 946 . 6 1 1 A 70 70 ARG HA H 69 4.164 4.008 0.156 1
1 954 . 6 1 1 A 70 70 ARG C C 69 180.253 178.906 1.347 1
1 955 . 6 1 1 A 70 70 ARG CA C 69 58.510 59.504 -0.994 1
1 956 . 6 1 1 A 70 70 ARG CB C 69 29.587 30.090 -0.503 1
1 960 . 6 1 1 A 70 70 ARG N N 69 116.411 118.885 -2.474 1
1 962 . 6 1 1 A 71 71 ARG H H 70 8.086 8.021 0.065 1
1 963 . 6 1 1 A 71 71 ARG HA H 70 4.025 4.052 -0.027 1
1 970 . 6 1 1 A 71 71 ARG C C 70 178.558 177.601 0.957 1
1 971 . 6 1 1 A 71 71 ARG CA C 70 59.428 58.577 0.851 1
1 972 . 6 1 1 A 71 71 ARG CB C 70 30.235 30.186 0.049 1
1 975 . 6 1 1 A 71 71 ARG N N 70 122.779 119.390 3.389 1
1 976 . 6 1 1 A 72 72 LEU H H 71 7.755 7.469 0.286 1
1 977 . 6 1 1 A 72 72 LEU HA H 71 4.081 4.172 -0.091 1
1 987 . 6 1 1 A 72 72 LEU C C 71 174.852 176.223 -1.371 1
1 988 . 6 1 1 A 72 72 LEU CA C 71 55.060 54.867 0.193 1
1 989 . 6 1 1 A 72 72 LEU CB C 71 43.109 41.587 1.522 1
1 993 . 6 1 1 A 72 72 LEU N N 71 116.551 117.470 -0.919 1
1 994 . 6 1 1 A 73 73 GLN H H 72 7.740 8.295 -0.555 1
1 995 . 6 1 1 A 73 73 GLN HA H 72 3.853 3.951 -0.098 1
1 1002 . 6 1 1 A 73 73 GLN C C 72 175.619 174.881 0.738 1
1 1003 . 6 1 1 A 73 73 GLN CA C 72 56.273 56.563 -0.290 1
1 1004 . 6 1 1 A 73 73 GLN CB C 72 25.939 26.515 -0.576 1
1 1007 . 6 1 1 A 73 73 GLN N N 72 114.737 117.651 -2.914 1
1 1009 . 6 1 1 A 74 74 LEU H H 73 7.525 7.530 -0.005 1
1 1010 . 6 1 1 A 74 74 LEU HA H 73 4.242 4.396 -0.154 1
1 1020 . 6 1 1 A 74 74 LEU C C 73 178.611 175.514 3.097 1
1 1021 . 6 1 1 A 74 74 LEU CA C 73 54.382 54.408 -0.026 1
1 1022 . 6 1 1 A 74 74 LEU CB C 73 41.995 42.333 -0.338 1
1 1026 . 6 1 1 A 74 74 LEU N N 73 114.861 120.137 -5.276 1
1 1027 . 6 1 1 A 75 75 ASN H H 74 8.970 8.454 0.516 1
1 1028 . 6 1 1 A 75 75 ASN HA H 74 4.694 5.110 -0.416 1
1 1033 . 6 1 1 A 75 75 ASN C C 74 176.527 175.527 1.000 1
1 1034 . 6 1 1 A 75 75 ASN CA C 74 52.686 51.467 1.219 1
1 1035 . 6 1 1 A 75 75 ASN CB C 74 39.583 42.142 -2.559 1
1 1037 . 6 1 1 A 75 75 ASN N N 74 121.274 118.000 3.274 1
1 1039 . 6 1 1 A 76 76 ALA H H 75 8.697 8.715 -0.018 1
1 1040 . 6 1 1 A 76 76 ALA HA H 75 3.966 4.075 -0.109 1
1 1044 . 6 1 1 A 76 76 ALA C C 75 178.002 179.090 -1.088 1
1 1045 . 6 1 1 A 76 76 ALA CA C 75 54.797 54.786 0.011 1
1 1046 . 6 1 1 A 76 76 ALA CB C 75 18.669 18.349 0.320 1
1 1047 . 6 1 1 A 76 76 ALA N N 75 123.590 125.602 -2.012 1
1 1048 . 6 1 1 A 77 77 ASN H H 76 8.344 8.089 0.255 1
1 1049 . 6 1 1 A 77 77 ASN HA H 76 4.585 4.506 0.079 1
1 1054 . 6 1 1 A 77 77 ASN C C 76 175.371 175.671 -0.300 1
1 1055 . 6 1 1 A 77 77 ASN CA C 76 53.183 55.682 -2.499 1
1 1056 . 6 1 1 A 77 77 ASN CB C 76 38.277 38.657 -0.380 1
1 1058 . 6 1 1 A 77 77 ASN N N 76 112.004 116.270 -4.266 1
1 1060 . 6 1 1 A 78 78 GLN H H 77 7.532 7.381 0.151 1
1 1061 . 6 1 1 A 78 78 GLN HA H 77 4.281 4.652 -0.371 1
1 1068 . 6 1 1 A 78 78 GLN C C 77 175.001 174.919 0.082 1
1 1069 . 6 1 1 A 78 78 GLN CA C 77 55.875 55.085 0.790 1
1 1070 . 6 1 1 A 78 78 GLN CB C 77 30.227 29.952 0.275 1
1 1073 . 6 1 1 A 78 78 GLN N N 77 120.237 119.160 1.077 1
1 1075 . 6 1 1 A 79 79 ALA H H 78 8.732 8.612 0.120 1
1 1076 . 6 1 1 A 79 79 ALA HA H 78 4.183 4.605 -0.422 1
1 1080 . 6 1 1 A 79 79 ALA C C 78 176.367 176.815 -0.448 1
1 1081 . 6 1 1 A 79 79 ALA CA C 78 52.798 52.128 0.670 1
1 1082 . 6 1 1 A 79 79 ALA CB C 78 20.051 19.573 0.478 1
1 1083 . 6 1 1 A 79 79 ALA N N 78 130.399 129.254 1.145 1
1 1084 . 6 1 1 A 80 80 PHE H H 79 7.603 8.418 -0.815 1
1 1085 . 6 1 1 A 80 80 PHE HA H 79 4.449 5.186 -0.737 1
1 1093 . 6 1 1 A 80 80 PHE C C 79 171.709 173.053 -1.344 1
1 1094 . 6 1 1 A 80 80 PHE CA C 79 59.101 57.031 2.070 1
1 1095 . 6 1 1 A 80 80 PHE CB C 79 42.282 42.578 -0.296 1
1 1099 . 6 1 1 A 80 80 PHE N N 79 118.988 122.673 -3.685 1
1 1100 . 6 1 1 A 81 81 PHE H H 80 8.507 9.120 -0.613 1
1 1101 . 6 1 1 A 81 81 PHE HA H 80 4.421 4.453 -0.032 1
1 1109 . 6 1 1 A 81 81 PHE C C 80 172.644 173.933 -1.289 1
1 1110 . 6 1 1 A 81 81 PHE CA C 80 56.711 55.889 0.822 1
1 1111 . 6 1 1 A 81 81 PHE CB C 80 41.880 42.858 -0.978 1
1 1115 . 6 1 1 A 81 81 PHE N N 80 126.042 124.805 1.237 1
1 1116 . 6 1 1 A 82 82 LEU H H 81 8.199 8.764 -0.565 1
1 1117 . 6 1 1 A 82 82 LEU HA H 81 4.883 4.975 -0.092 1
1 1127 . 6 1 1 A 82 82 LEU C C 81 174.440 174.949 -0.509 1
1 1128 . 6 1 1 A 82 82 LEU CA C 81 53.153 54.033 -0.880 1
1 1129 . 6 1 1 A 82 82 LEU CB C 81 45.520 43.821 1.699 1
1 1133 . 6 1 1 A 82 82 LEU N N 81 121.512 125.861 -4.349 1
1 1134 . 6 1 1 A 83 83 LEU H H 82 9.349 9.849 -0.500 1
1 1135 . 6 1 1 A 83 83 LEU HA H 82 4.810 4.693 0.117 1
1 1145 . 6 1 1 A 83 83 LEU C C 82 177.075 175.938 1.137 1
1 1146 . 6 1 1 A 83 83 LEU CA C 82 54.122 53.969 0.153 1
1 1147 . 6 1 1 A 83 83 LEU CB C 82 43.394 41.300 2.094 1
1 1151 . 6 1 1 A 83 83 LEU N N 82 125.253 129.118 -3.865 1
1 1152 . 6 1 1 A 84 84 VAL H H 83 8.681 8.989 -0.308 1
1 1153 . 6 1 1 A 84 84 VAL HA H 83 4.411 3.896 0.515 1
1 1161 . 6 1 1 A 84 84 VAL C C 83 175.797 176.217 -0.420 1
1 1162 . 6 1 1 A 84 84 VAL CA C 83 61.630 62.640 -1.010 1
1 1163 . 6 1 1 A 84 84 VAL CB C 83 33.647 31.142 2.505 1
1 1166 . 6 1 1 A 84 84 VAL N N 83 123.543 125.920 -2.377 1
1 1167 . 6 1 1 A 85 85 ASN H H 84 9.622 9.134 0.488 1
1 1168 . 6 1 1 A 85 85 ASN HA H 84 4.399 4.501 -0.102 1
1 1173 . 6 1 1 A 85 85 ASN C C 84 175.042 174.975 0.067 1
1 1174 . 6 1 1 A 85 85 ASN CA C 84 54.610 54.254 0.356 1
1 1175 . 6 1 1 A 85 85 ASN CB C 84 37.927 36.978 0.949 1
1 1177 . 6 1 1 A 85 85 ASN N N 84 125.848 127.267 -1.419 1
1 1179 . 6 1 1 A 86 86 GLY H H 85 8.551 8.321 0.230 1
1 1180 . 6 1 1 A 86 86 GLY HA2 H 85 3.368 3.938 -0.570 1
1 1181 . 6 1 1 A 86 86 GLY HA3 H 85 4.064 3.961 0.103 1
1 1182 . 6 1 1 A 86 86 GLY C C 85 173.524 173.691 -0.167 1
1 1183 . 6 1 1 A 86 86 GLY CA C 85 45.588 45.410 0.178 1
1 1184 . 6 1 1 A 86 86 GLY N N 85 101.093 104.356 -3.263 1
1 1185 . 6 1 1 A 87 87 HIS H H 86 7.906 7.463 0.443 1
1 1186 . 6 1 1 A 87 87 HIS HA H 86 5.003 5.216 -0.213 1
1 1191 . 6 1 1 A 87 87 HIS C C 86 173.910 174.135 -0.225 1
1 1192 . 6 1 1 A 87 87 HIS CA C 86 54.213 53.750 0.463 1
1 1193 . 6 1 1 A 87 87 HIS CB C 86 31.482 32.937 -1.455 1
1 1196 . 6 1 1 A 87 87 HIS N N 86 117.253 115.061 2.192 1
1 1197 . 6 1 1 A 88 88 SER H H 87 8.846 8.981 -0.135 1
1 1198 . 6 1 1 A 88 88 SER HA H 87 4.702 4.450 0.252 1
1 1201 . 6 1 1 A 88 88 SER C C 87 175.739 174.954 0.785 1
1 1202 . 6 1 1 A 88 88 SER CA C 87 58.245 58.033 0.212 1
1 1203 . 6 1 1 A 88 88 SER CB C 87 63.764 64.817 -1.053 1
1 1204 . 6 1 1 A 88 88 SER N N 87 117.469 117.184 0.285 1
1 1205 . 6 1 1 A 89 89 MET H H 88 9.174 8.490 0.684 1
1 1206 . 6 1 1 A 89 89 MET HA H 88 4.820 4.964 -0.144 1
1 1214 . 6 1 1 A 89 89 MET C C 88 176.294 177.194 -0.900 1
1 1215 . 6 1 1 A 89 89 MET CA C 88 54.853 53.939 0.914 1
1 1216 . 6 1 1 A 89 89 MET CB C 88 33.183 32.359 0.824 1
1 1219 . 6 1 1 A 89 89 MET N N 88 125.111 119.212 5.899 1
1 1220 . 6 1 1 A 90 90 VAL H H 89 8.217 7.643 0.574 1
1 1221 . 6 1 1 A 90 90 VAL HA H 89 4.063 3.897 0.166 1
1 1229 . 6 1 1 A 90 90 VAL C C 89 176.249 176.699 -0.450 1
1 1230 . 6 1 1 A 90 90 VAL CA C 89 63.377 64.261 -0.884 1
1 1231 . 6 1 1 A 90 90 VAL CB C 89 32.473 31.656 0.817 1
1 1234 . 6 1 1 A 90 90 VAL N N 89 120.477 120.656 -0.179 1
1 1235 . 6 1 1 A 91 91 SER H H 90 8.356 7.687 0.669 1
1 1236 . 6 1 1 A 91 91 SER HA H 90 4.614 4.775 -0.161 1
1 1239 . 6 1 1 A 91 91 SER C C 90 175.841 174.033 1.808 1
1 1240 . 6 1 1 A 91 91 SER CA C 90 57.860 57.726 0.134 1
1 1241 . 6 1 1 A 91 91 SER CB C 90 63.398 63.428 -0.030 1
1 1242 . 6 1 1 A 91 91 SER N N 90 116.676 115.029 1.647 1
1 1243 . 6 1 1 A 92 92 VAL H H 91 8.158 7.803 0.355 1
1 1244 . 6 1 1 A 92 92 VAL HA H 91 4.245 3.972 0.273 1
1 1252 . 6 1 1 A 92 92 VAL C C 91 175.856 175.712 0.144 1
1 1253 . 6 1 1 A 92 92 VAL CA C 91 63.121 63.406 -0.285 1
1 1254 . 6 1 1 A 92 92 VAL CB C 91 31.872 31.490 0.382 1
1 1257 . 6 1 1 A 92 92 VAL N N 91 119.994 123.320 -3.326 1
1 1258 . 6 1 1 A 93 93 SER H H 92 8.368 8.790 -0.422 1
1 1259 . 6 1 1 A 93 93 SER HA H 92 4.581 4.779 -0.198 1
1 1262 . 6 1 1 A 93 93 SER C C 92 174.154 172.517 1.637 1
1 1263 . 6 1 1 A 93 93 SER CA C 92 57.706 58.094 -0.388 1
1 1264 . 6 1 1 A 93 93 SER CB C 92 63.126 64.702 -1.576 1
1 1265 . 6 1 1 A 93 93 SER N N 92 116.504 125.393 -8.889 1
1 1266 . 6 1 1 A 94 94 THR H H 93 7.427 7.594 -0.167 1
1 1267 . 6 1 1 A 94 94 THR HA H 93 4.464 4.647 -0.183 1
1 1272 . 6 1 1 A 94 94 THR CA C 93 61.032 59.193 1.839 1
1 1273 . 6 1 1 A 94 94 THR CB C 93 70.505 71.605 -1.100 1
1 1275 . 6 1 1 A 94 94 THR N N 93 119.172 116.824 2.348 1
1 1276 . 6 1 1 A 95 95 PRO HA H 94 4.426 4.689 -0.263 1
1 1283 . 6 1 1 A 95 95 PRO C C 94 178.692 177.991 0.701 1
1 1284 . 6 1 1 A 95 95 PRO CA C 94 62.921 62.735 0.186 1
1 1285 . 6 1 1 A 95 95 PRO CB C 94 32.774 32.290 0.484 1
1 1288 . 6 1 1 A 96 96 ILE H H 95 9.324 8.980 0.344 1
1 1289 . 6 1 1 A 96 96 ILE HA H 95 3.956 3.974 -0.018 1
1 1299 . 6 1 1 A 96 96 ILE C C 95 176.415 177.183 -0.768 1
1 1300 . 6 1 1 A 96 96 ILE CA C 95 63.880 63.713 0.167 1
1 1301 . 6 1 1 A 96 96 ILE CB C 95 38.055 37.938 0.117 1
1 1305 . 6 1 1 A 96 96 ILE N N 95 123.862 125.757 -1.895 1
1 1306 . 6 1 1 A 97 97 SER H H 96 8.211 8.333 -0.122 1
1 1307 . 6 1 1 A 97 97 SER HA H 96 3.978 4.140 -0.162 1
1 1310 . 6 1 1 A 97 97 SER C C 96 176.494 177.395 -0.901 1
1 1311 . 6 1 1 A 97 97 SER CA C 96 61.576 61.398 0.178 1
1 1312 . 6 1 1 A 97 97 SER CB C 96 61.262 62.264 -1.002 1
1 1313 . 6 1 1 A 97 97 SER N N 96 116.529 117.122 -0.593 1
1 1314 . 6 1 1 A 98 98 GLU H H 97 7.329 8.044 -0.715 1
1 1315 . 6 1 1 A 98 98 GLU HA H 97 4.290 4.218 0.072 1
1 1320 . 6 1 1 A 98 98 GLU C C 97 179.288 179.031 0.257 1
1 1321 . 6 1 1 A 98 98 GLU CA C 97 58.705 59.387 -0.682 1
1 1322 . 6 1 1 A 98 98 GLU CB C 97 29.791 30.221 -0.430 1
1 1324 . 6 1 1 A 98 98 GLU N N 97 122.955 122.590 0.365 1
1 1325 . 6 1 1 A 99 99 VAL H H 98 7.386 8.282 -0.896 1
1 1326 . 6 1 1 A 99 99 VAL HA H 98 3.815 3.801 0.014 1
1 1334 . 6 1 1 A 99 99 VAL C C 98 177.662 178.359 -0.697 1
1 1335 . 6 1 1 A 99 99 VAL CA C 98 65.774 65.913 -0.139 1
1 1336 . 6 1 1 A 99 99 VAL CB C 98 32.047 31.729 0.318 1
1 1339 . 6 1 1 A 99 99 VAL N N 98 120.888 120.644 0.244 1
1 1340 . 6 1 1 A 100 100 TYR H H 99 8.984 8.011 0.973 1
1 1341 . 6 1 1 A 100 100 TYR HA H 99 4.013 4.156 -0.143 1
1 1348 . 6 1 1 A 100 100 TYR C C 99 176.355 178.188 -1.833 1
1 1349 . 6 1 1 A 100 100 TYR CA C 99 62.118 61.664 0.454 1
1 1350 . 6 1 1 A 100 100 TYR CB C 99 38.921 38.918 0.003 1
1 1353 . 6 1 1 A 100 100 TYR N N 99 118.874 121.192 -2.318 1
1 1354 . 6 1 1 A 101 101 GLU H H 100 7.433 8.553 -1.120 1
1 1355 . 6 1 1 A 101 101 GLU HA H 100 3.833 3.950 -0.117 1
1 1360 . 6 1 1 A 101 101 GLU C C 100 177.674 176.798 0.876 1
1 1361 . 6 1 1 A 101 101 GLU CA C 100 58.895 57.739 1.156 1
1 1362 . 6 1 1 A 101 101 GLU CB C 100 29.577 28.789 0.788 1
1 1364 . 6 1 1 A 101 101 GLU N N 100 114.383 117.523 -3.140 1
1 1365 . 6 1 1 A 102 102 SER H H 101 7.423 8.222 -0.799 1
1 1366 . 6 1 1 A 102 102 SER HA H 101 4.552 4.680 -0.128 1
1 1369 . 6 1 1 A 102 102 SER C C 101 176.554 174.753 1.801 1
1 1370 . 6 1 1 A 102 102 SER CA C 101 60.200 58.533 1.667 1
1 1371 . 6 1 1 A 102 102 SER CB C 101 64.828 64.171 0.657 1
1 1372 . 6 1 1 A 102 102 SER N N 101 108.722 115.096 -6.374 1
1 1373 . 6 1 1 A 103 103 GLU H H 102 8.488 7.733 0.755 1
1 1374 . 6 1 1 A 103 103 GLU HA H 102 4.752 4.490 0.262 1
1 1379 . 6 1 1 A 103 103 GLU C C 102 176.653 176.388 0.265 1
1 1380 . 6 1 1 A 103 103 GLU CA C 102 55.464 57.335 -1.871 1
1 1381 . 6 1 1 A 103 103 GLU CB C 102 30.611 32.289 -1.678 1
1 1383 . 6 1 1 A 103 103 GLU N N 102 116.116 118.478 -2.362 1
1 1384 . 6 1 1 A 104 104 ARG H H 103 7.511 7.838 -0.327 1
1 1385 . 6 1 1 A 104 104 ARG HA H 103 4.241 4.291 -0.050 1
1 1392 . 6 1 1 A 104 104 ARG C C 103 174.634 175.384 -0.750 1
1 1393 . 6 1 1 A 104 104 ARG CA C 103 56.926 56.257 0.669 1
1 1394 . 6 1 1 A 104 104 ARG CB C 103 29.713 30.223 -0.510 1
1 1397 . 6 1 1 A 104 104 ARG N N 103 117.180 118.207 -1.027 1
1 1398 . 6 1 1 A 105 105 ASP H H 104 9.069 8.659 0.410 1
1 1399 . 6 1 1 A 105 105 ASP HA H 104 4.774 5.107 -0.333 1
1 1402 . 6 1 1 A 105 105 ASP C C 104 177.460 176.998 0.462 1
1 1403 . 6 1 1 A 105 105 ASP CA C 104 53.852 52.397 1.455 1
1 1404 . 6 1 1 A 105 105 ASP CB C 104 43.424 43.477 -0.053 1
1 1405 . 6 1 1 A 105 105 ASP N N 104 123.349 121.704 1.645 1
1 1406 . 6 1 1 A 106 106 GLU H H 105 8.982 8.950 0.032 1
1 1407 . 6 1 1 A 106 106 GLU HA H 105 4.199 4.061 0.138 1
1 1412 . 6 1 1 A 106 106 GLU C C 105 177.398 178.179 -0.781 1
1 1413 . 6 1 1 A 106 106 GLU CA C 105 59.413 59.332 0.081 1
1 1414 . 6 1 1 A 106 106 GLU CB C 105 29.983 29.443 0.540 1
1 1416 . 6 1 1 A 106 106 GLU N N 105 125.197 121.119 4.078 1
1 1417 . 6 1 1 A 107 107 ASP H H 106 9.873 8.131 1.742 1
1 1418 . 6 1 1 A 107 107 ASP HA H 106 4.211 4.188 0.023 1
1 1421 . 6 1 1 A 107 107 ASP C C 106 175.775 176.733 -0.958 1
1 1422 . 6 1 1 A 107 107 ASP CA C 106 54.698 54.875 -0.177 1
1 1423 . 6 1 1 A 107 107 ASP CB C 106 40.187 41.718 -1.531 1
1 1424 . 6 1 1 A 107 107 ASP N N 106 118.717 116.803 1.914 1
1 1425 . 6 1 1 A 108 108 GLY H H 107 7.971 8.223 -0.252 1
1 1426 . 6 1 1 A 108 108 GLY HA2 H 107 3.431 3.818 -0.387 1
1 1427 . 6 1 1 A 108 108 GLY HA3 H 107 4.526 3.866 0.660 1
1 1428 . 6 1 1 A 108 108 GLY C C 107 175.138 174.044 1.094 1
1 1429 . 6 1 1 A 108 108 GLY CA C 107 45.029 45.286 -0.257 1
1 1430 . 6 1 1 A 108 108 GLY N N 107 105.017 108.832 -3.815 1
1 1431 . 6 1 1 A 109 109 PHE H H 108 9.799 8.093 1.706 1
1 1432 . 6 1 1 A 109 109 PHE HA H 108 4.607 4.607 0.000 1
1 1440 . 6 1 1 A 109 109 PHE C C 108 175.171 175.157 0.014 1
1 1441 . 6 1 1 A 109 109 PHE CA C 108 60.222 57.256 2.966 1
1 1442 . 6 1 1 A 109 109 PHE CB C 108 40.433 40.550 -0.117 1
1 1446 . 6 1 1 A 109 109 PHE N N 108 123.309 120.029 3.280 1
1 1447 . 6 1 1 A 110 110 LEU H H 109 8.061 8.721 -0.660 1
1 1448 . 6 1 1 A 110 110 LEU HA H 109 5.022 4.368 0.654 1
1 1458 . 6 1 1 A 110 110 LEU C C 109 174.033 175.617 -1.584 1
1 1459 . 6 1 1 A 110 110 LEU CA C 109 53.539 54.905 -1.366 1
1 1460 . 6 1 1 A 110 110 LEU CB C 109 45.284 42.532 2.752 1
1 1464 . 6 1 1 A 110 110 LEU N N 109 119.999 125.146 -5.147 1
1 1465 . 6 1 1 A 111 111 TYR H H 110 9.363 9.182 0.181 1
1 1466 . 6 1 1 A 111 111 TYR HA H 110 4.906 5.329 -0.423 1
1 1473 . 6 1 1 A 111 111 TYR C C 110 176.538 174.991 1.547 1
1 1474 . 6 1 1 A 111 111 TYR CA C 110 59.335 56.392 2.943 1
1 1475 . 6 1 1 A 111 111 TYR CB C 110 39.485 41.403 -1.918 1
1 1478 . 6 1 1 A 111 111 TYR N N 110 126.322 121.841 4.481 1
1 1479 . 6 1 1 A 112 112 MET H H 111 9.496 8.378 1.118 1
1 1480 . 6 1 1 A 112 112 MET HA H 111 5.522 5.101 0.421 1
1 1488 . 6 1 1 A 112 112 MET C C 111 175.676 174.356 1.320 1
1 1489 . 6 1 1 A 112 112 MET CA C 111 54.216 54.587 -0.371 1
1 1490 . 6 1 1 A 112 112 MET CB C 111 36.821 37.173 -0.352 1
1 1493 . 6 1 1 A 112 112 MET N N 111 119.003 121.867 -2.864 1
1 1494 . 6 1 1 A 113 113 VAL H H 112 8.749 8.834 -0.085 1
1 1495 . 6 1 1 A 113 113 VAL HA H 112 5.967 5.300 0.667 1
1 1503 . 6 1 1 A 113 113 VAL C C 112 174.893 174.920 -0.027 1
1 1504 . 6 1 1 A 113 113 VAL CA C 112 58.896 61.212 -2.316 1
1 1505 . 6 1 1 A 113 113 VAL CB C 112 36.149 34.065 2.084 1
1 1508 . 6 1 1 A 113 113 VAL N N 112 119.658 121.564 -1.906 1
1 1509 . 6 1 1 A 114 114 TYR H H 113 8.210 8.523 -0.313 1
1 1510 . 6 1 1 A 114 114 TYR HA H 113 6.141 6.175 -0.034 1
1 1517 . 6 1 1 A 114 114 TYR C C 113 173.353 173.764 -0.411 1
1 1518 . 6 1 1 A 114 114 TYR CA C 113 54.161 55.059 -0.898 1
1 1519 . 6 1 1 A 114 114 TYR CB C 113 43.538 42.330 1.208 1
1 1522 . 6 1 1 A 114 114 TYR N N 113 118.947 122.527 -3.580 1
1 1523 . 6 1 1 A 115 115 ALA H H 114 8.483 8.727 -0.244 1
1 1524 . 6 1 1 A 115 115 ALA HA H 114 4.762 4.771 -0.009 1
1 1528 . 6 1 1 A 115 115 ALA C C 114 176.033 177.103 -1.070 1
1 1529 . 6 1 1 A 115 115 ALA CA C 114 51.223 51.234 -0.011 1
1 1530 . 6 1 1 A 115 115 ALA CB C 114 24.521 22.868 1.653 1
1 1531 . 6 1 1 A 115 115 ALA N N 114 119.557 121.753 -2.196 1
1 1532 . 6 1 1 A 116 116 SER H H 115 9.835 8.890 0.945 1
1 1533 . 6 1 1 A 116 116 SER HA H 115 4.497 5.124 -0.627 1
1 1536 . 6 1 1 A 116 116 SER C C 115 172.664 173.874 -1.210 1
1 1537 . 6 1 1 A 116 116 SER CA C 115 58.669 57.834 0.835 1
1 1538 . 6 1 1 A 116 116 SER CB C 115 63.570 63.668 -0.098 1
1 1539 . 6 1 1 A 116 116 SER N N 115 114.435 114.397 0.038 1
1 1540 . 6 1 1 A 117 117 GLN H H 116 7.180 7.561 -0.381 1
1 1541 . 6 1 1 A 117 117 GLN HA H 116 4.460 5.017 -0.557 1
1 1548 . 6 1 1 A 117 117 GLN C C 116 172.901 175.099 -2.198 1
1 1549 . 6 1 1 A 117 117 GLN CA C 116 53.974 55.465 -1.491 1
1 1550 . 6 1 1 A 117 117 GLN CB C 116 32.192 32.144 0.048 1
1 1553 . 6 1 1 A 117 117 GLN N N 116 116.449 121.099 -4.650 1
1 1555 . 6 1 1 A 118 118 GLU H H 117 7.878 8.710 -0.832 1
1 1556 . 6 1 1 A 118 118 GLU HA H 117 3.259 4.594 -1.335 1
1 1561 . 6 1 1 A 118 118 GLU C C 117 175.233 176.733 -1.500 1
1 1562 . 6 1 1 A 118 118 GLU CA C 117 56.890 56.233 0.657 1
1 1563 . 6 1 1 A 118 118 GLU CB C 117 30.325 30.224 0.101 1
1 1565 . 6 1 1 A 118 118 GLU N N 117 117.687 124.620 -6.933 1
1 1566 . 6 1 1 A 119 119 THR H H 118 6.968 7.470 -0.502 1
1 1567 . 6 1 1 A 119 119 THR HA H 118 4.082 4.404 -0.322 1
1 1572 . 6 1 1 A 119 119 THR C C 118 173.134 174.647 -1.513 1
1 1573 . 6 1 1 A 119 119 THR CA C 118 60.123 59.527 0.596 1
1 1574 . 6 1 1 A 119 119 THR CB C 118 70.147 68.526 1.621 1
1 1576 . 6 1 1 A 119 119 THR N N 118 109.548 109.006 0.542 1
1 1577 . 6 1 1 A 120 120 PHE H H 119 8.138 7.683 0.455 1
1 1578 . 6 1 1 A 120 120 PHE HA H 119 4.436 4.684 -0.248 1
1 1586 . 6 1 1 A 120 120 PHE C C 119 174.902 176.783 -1.881 1
1 1587 . 6 1 1 A 120 120 PHE CA C 119 56.750 57.407 -0.657 1
1 1588 . 6 1 1 A 120 120 PHE CB C 119 39.411 40.999 -1.588 1
1 1592 . 6 1 1 A 120 120 PHE N N 119 121.777 120.717 1.060 1
1 1607 . 6 2 2 B 2 2 SER H H 332 8.471 8.668 -0.197 1
1 1608 . 6 2 2 B 2 2 SER HA H 332 4.484 4.446 0.038 1
1 1611 . 6 2 2 B 2 2 SER C C 332 174.962 174.364 0.598 1
1 1612 . 6 2 2 B 2 2 SER CA C 332 88.436 59.807 28.629 1
1 1613 . 6 2 2 B 2 2 SER CB C 332 93.927 62.163 31.764 1
1 1614 . 6 2 2 B 2 2 SER N N 332 147.261 120.169 27.092 1
1 1615 . 6 2 2 B 3 3 GLY H H 333 8.601 8.148 0.453 1
1 1616 . 6 2 2 B 3 3 GLY HA2 H 333 4.022 4.169 -0.147 1
1 1617 . 6 2 2 B 3 3 GLY HA3 H 333 4.022 4.175 -0.153 1
1 1618 . 6 2 2 B 3 3 GLY C C 333 174.774 172.852 1.922 1
1 1619 . 6 2 2 B 3 3 GLY CA C 333 75.465 45.646 29.819 1
1 1620 . 6 2 2 B 3 3 GLY N N 333 141.077 112.922 28.155 1
1 1621 . 6 2 2 B 4 4 GLY H H 334 8.372 8.240 0.132 1
1 1622 . 6 2 2 B 4 4 GLY HA2 H 334 3.980 4.311 -0.331 1
1 1623 . 6 2 2 B 4 4 GLY HA3 H 334 3.980 4.318 -0.338 1
1 1624 . 6 2 2 B 4 4 GLY C C 334 174.758 172.947 1.811 1
1 1625 . 6 2 2 B 4 4 GLY CA C 334 75.674 44.488 31.186 1
1 1626 . 6 2 2 B 4 4 GLY N N 334 138.894 110.754 28.140 1
1 1627 . 6 2 2 B 5 5 ASP H H 335 8.429 8.873 -0.444 1
1 1628 . 6 2 2 B 5 5 ASP HA H 335 4.610 4.246 0.364 1
1 1631 . 6 2 2 B 5 5 ASP CA C 335 85.066 55.194 29.872 1
1 1632 . 6 2 2 B 5 5 ASP CB C 335 71.191 39.297 31.894 1
1 1633 . 6 2 2 B 5 5 ASP N N 335 149.637 118.433 31.204 1
1 1634 . 6 2 2 B 6 6 ASP H H 336 8.244 8.343 -0.099 1
1 1635 . 6 2 2 B 6 6 ASP HA H 336 4.559 4.496 0.063 1
1 1638 . 6 2 2 B 6 6 ASP C C 336 175.432 175.890 -0.458 1
1 1639 . 6 2 2 B 6 6 ASP CA C 336 84.708 56.425 28.283 1
1 1640 . 6 2 2 B 6 6 ASP CB C 336 71.552 40.233 31.319 1
1 1641 . 6 2 2 B 6 6 ASP N N 336 148.885 117.060 31.825 1
1 1642 . 6 2 2 B 7 7 ASP H H 337 7.803 7.828 -0.025 1
1 1643 . 6 2 2 B 7 7 ASP HA H 337 4.655 5.168 -0.513 1
1 1646 . 6 2 2 B 7 7 ASP C C 337 175.362 174.769 0.593 1
1 1647 . 6 2 2 B 7 7 ASP CA C 337 83.670 52.544 31.126 1
1 1648 . 6 2 2 B 7 7 ASP CB C 337 71.933 43.639 28.294 1
1 1649 . 6 2 2 B 7 7 ASP N N 337 149.563 115.615 33.948 1
1 1650 . 6 2 2 B 8 8 TRP H H 338 8.472 8.708 -0.236 1
1 1651 . 6 2 2 B 8 8 TRP HA H 338 4.174 4.895 -0.721 1
1 1660 . 6 2 2 B 8 8 TRP C C 338 175.959 176.212 -0.253 1
1 1661 . 6 2 2 B 8 8 TRP CA C 338 87.020 57.026 29.994 1
1 1662 . 6 2 2 B 8 8 TRP CB C 338 61.223 30.251 30.972 1
1 1668 . 6 2 2 B 8 8 TRP N N 338 150.172 122.858 27.314 1
1 1670 . 6 2 2 B 9 9 THR H H 339 7.994 8.780 -0.786 1
1 1671 . 6 2 2 B 9 9 THR HA H 339 4.533 4.463 0.070 1
1 1676 . 6 2 2 B 9 9 THR C C 339 174.035 174.117 -0.082 1
1 1677 . 6 2 2 B 9 9 THR CA C 339 92.659 61.612 31.047 1
1 1678 . 6 2 2 B 9 9 THR CB C 339 99.436 70.665 28.771 1
1 1680 . 6 2 2 B 9 9 THR N N 339 149.503 115.383 34.120 1
1 1681 . 6 2 2 B 10 10 HIS H H 340 9.463 8.184 1.279 1
1 1682 . 6 2 2 B 10 10 HIS HA H 340 4.677 5.418 -0.741 1
1 1687 . 6 2 2 B 10 10 HIS C C 340 175.606 174.073 1.533 1
1 1688 . 6 2 2 B 10 10 HIS CA C 340 87.024 53.956 33.068 1
1 1689 . 6 2 2 B 10 10 HIS CB C 340 61.368 31.851 29.517 1
1 1692 . 6 2 2 B 10 10 HIS N N 340 159.135 119.339 39.796 1
1 1693 . 6 2 2 B 11 11 LEU H H 341 8.398 9.214 -0.816 1
1 1694 . 6 2 2 B 11 11 LEU HA H 341 4.848 4.944 -0.096 1
1 1704 . 6 2 2 B 11 11 LEU C C 341 175.919 175.836 0.083 1
1 1705 . 6 2 2 B 11 11 LEU CA C 341 83.684 53.910 29.774 1
1 1706 . 6 2 2 B 11 11 LEU CB C 341 73.601 41.919 31.682 1
1 1710 . 6 2 2 B 11 11 LEU N N 341 153.300 126.626 26.674 1
1 1711 . 6 2 2 B 12 12 SER H H 342 8.382 9.120 -0.738 1
1 1712 . 6 2 2 B 12 12 SER HA H 342 4.652 5.173 -0.521 1
1 1715 . 6 2 2 B 12 12 SER C C 342 174.263 175.169 -0.906 1
1 1716 . 6 2 2 B 12 12 SER CA C 342 86.841 57.079 29.762 1
1 1717 . 6 2 2 B 12 12 SER CB C 342 95.113 65.504 29.609 1
1 1718 . 6 2 2 B 12 12 SER N N 342 144.018 123.140 20.878 1
1 1719 . 6 2 2 B 13 13 SER H H 343 8.937 8.843 0.094 1
1 1720 . 6 2 2 B 13 13 SER HA H 343 4.291 4.499 -0.208 1
1 1723 . 6 2 2 B 13 13 SER C C 343 174.652 174.884 -0.232 1
1 1724 . 6 2 2 B 13 13 SER CA C 343 89.546 59.639 29.907 1
1 1725 . 6 2 2 B 13 13 SER CB C 343 93.470 63.450 30.020 1
1 1726 . 6 2 2 B 13 13 SER N N 343 148.575 117.252 31.323 1
1 1727 . 6 2 2 B 14 14 LYS H H 344 8.250 8.140 0.110 1
1 1728 . 6 2 2 B 14 14 LYS HA H 344 4.319 4.395 -0.076 1
1 1737 . 6 2 2 B 14 14 LYS C C 344 176.699 177.427 -0.728 1
1 1738 . 6 2 2 B 14 14 LYS CA C 344 86.716 57.450 29.266 1
1 1739 . 6 2 2 B 14 14 LYS CB C 344 62.831 33.476 29.355 1
1 1743 . 6 2 2 B 14 14 LYS N N 344 151.908 120.676 31.232 1
1 1744 . 6 2 2 B 15 15 GLU H H 345 8.256 7.681 0.575 1
1 1745 . 6 2 2 B 15 15 GLU HA H 345 4.240 4.431 -0.191 1
1 1750 . 6 2 2 B 15 15 GLU C C 345 176.152 176.211 -0.059 1
1 1751 . 6 2 2 B 15 15 GLU CA C 345 87.152 56.254 30.898 1
1 1752 . 6 2 2 B 15 15 GLU CB C 345 60.176 30.432 29.744 1
1 1754 . 6 2 2 B 15 15 GLU N N 345 150.679 117.925 32.754 1
1 1755 . 6 2 2 B 16 16 VAL H H 346 7.762 7.346 0.416 1
1 1756 . 6 2 2 B 16 16 VAL HA H 346 4.161 4.140 0.021 1
1 1764 . 6 2 2 B 16 16 VAL C C 346 174.646 175.515 -0.869 1
1 1765 . 6 2 2 B 16 16 VAL CA C 346 91.707 60.846 30.861 1
1 1766 . 6 2 2 B 16 16 VAL CB C 346 63.107 33.777 29.330 1
1 1769 . 6 2 2 B 16 16 VAL N N 346 146.718 117.138 29.580 1
1 9 . 7 1 1 A 2 2 MET H H 1 8.414 7.917 0.497 1
1 10 . 7 1 1 A 2 2 MET HA H 1 4.826 4.949 -0.123 1
1 18 . 7 1 1 A 2 2 MET CA C 1 53.382 52.461 0.921 1
1 19 . 7 1 1 A 2 2 MET CB C 1 32.478 33.399 -0.921 1
1 22 . 7 1 1 A 2 2 MET N N 1 122.882 119.933 2.949 1
1 23 . 7 1 1 A 3 3 PRO HA H 2 4.425 4.755 -0.330 1
1 30 . 7 1 1 A 3 3 PRO C C 2 176.847 176.714 0.133 1
1 31 . 7 1 1 A 3 3 PRO CA C 2 63.386 62.222 1.164 1
1 32 . 7 1 1 A 3 3 PRO CB C 2 32.077 30.141 1.936 1
1 35 . 7 1 1 A 4 4 SER H H 3 8.347 8.025 0.322 1
1 36 . 7 1 1 A 4 4 SER HA H 3 4.391 4.205 0.186 1
1 39 . 7 1 1 A 4 4 SER C C 3 174.643 174.373 0.270 1
1 40 . 7 1 1 A 4 4 SER CA C 3 58.336 60.548 -2.212 1
1 41 . 7 1 1 A 4 4 SER CB C 3 63.798 62.870 0.928 1
1 42 . 7 1 1 A 4 4 SER N N 3 115.234 119.944 -4.710 1
1 43 . 7 1 1 A 5 5 GLU H H 4 8.472 8.460 0.012 1
1 44 . 7 1 1 A 5 5 GLU HA H 4 4.297 4.212 0.085 1
1 49 . 7 1 1 A 5 5 GLU C C 4 176.352 176.612 -0.260 1
1 50 . 7 1 1 A 5 5 GLU CA C 4 56.572 57.058 -0.486 1
1 51 . 7 1 1 A 5 5 GLU CB C 4 30.285 30.143 0.142 1
1 53 . 7 1 1 A 5 5 GLU N N 4 123.045 127.192 -4.147 1
1 54 . 7 1 1 A 6 6 LYS H H 5 8.214 8.489 -0.275 1
1 55 . 7 1 1 A 6 6 LYS HA H 5 4.500 4.323 0.177 1
1 64 . 7 1 1 A 6 6 LYS C C 5 177.243 176.813 0.430 1
1 65 . 7 1 1 A 6 6 LYS CA C 5 55.943 56.633 -0.690 1
1 66 . 7 1 1 A 6 6 LYS CB C 5 34.621 33.134 1.487 1
1 70 . 7 1 1 A 6 6 LYS N N 5 121.467 126.364 -4.897 1
1 71 . 7 1 1 A 7 7 THR H H 6 8.431 8.632 -0.201 1
1 72 . 7 1 1 A 7 7 THR HA H 6 4.383 4.781 -0.398 1
1 77 . 7 1 1 A 7 7 THR C C 6 175.360 176.363 -1.003 1
1 78 . 7 1 1 A 7 7 THR CA C 6 61.124 60.549 0.575 1
1 79 . 7 1 1 A 7 7 THR CB C 6 69.863 70.931 -1.068 1
1 81 . 7 1 1 A 7 7 THR N N 6 114.691 112.865 1.826 1
1 82 . 7 1 1 A 8 8 PHE H H 7 10.194 9.169 1.025 1
1 83 . 7 1 1 A 8 8 PHE HA H 7 3.904 4.247 -0.343 1
1 88 . 7 1 1 A 8 8 PHE C C 7 177.000 177.793 -0.793 1
1 89 . 7 1 1 A 8 8 PHE CA C 7 63.388 60.862 2.526 1
1 90 . 7 1 1 A 8 8 PHE CB C 7 39.586 38.927 0.659 1
1 92 . 7 1 1 A 8 8 PHE N N 7 124.861 123.320 1.541 1
1 93 . 7 1 1 A 9 9 LYS H H 8 8.707 8.252 0.455 1
1 94 . 7 1 1 A 9 9 LYS HA H 8 3.761 4.324 -0.563 1
1 103 . 7 1 1 A 9 9 LYS C C 8 177.496 179.007 -1.511 1
1 104 . 7 1 1 A 9 9 LYS CA C 8 59.945 59.236 0.709 1
1 105 . 7 1 1 A 9 9 LYS CB C 8 33.870 31.875 1.995 1
1 109 . 7 1 1 A 9 9 LYS N N 8 114.189 117.515 -3.326 1
1 110 . 7 1 1 A 10 10 GLN H H 9 7.284 8.188 -0.904 1
1 111 . 7 1 1 A 10 10 GLN HA H 9 4.113 4.140 -0.027 1
1 118 . 7 1 1 A 10 10 GLN C C 9 177.416 178.045 -0.629 1
1 119 . 7 1 1 A 10 10 GLN CA C 9 56.743 58.433 -1.690 1
1 120 . 7 1 1 A 10 10 GLN CB C 9 30.002 28.888 1.114 1
1 123 . 7 1 1 A 10 10 GLN N N 9 112.843 119.148 -6.305 1
1 125 . 7 1 1 A 11 11 ARG H H 10 7.889 8.444 -0.555 1
1 126 . 7 1 1 A 11 11 ARG HA H 10 4.255 3.967 0.288 1
1 133 . 7 1 1 A 11 11 ARG C C 10 175.059 176.736 -1.677 1
1 134 . 7 1 1 A 11 11 ARG CA C 10 57.018 59.608 -2.590 1
1 135 . 7 1 1 A 11 11 ARG CB C 10 31.628 30.294 1.334 1
1 138 . 7 1 1 A 11 11 ARG N N 10 117.567 121.035 -3.468 1
1 139 . 7 1 1 A 12 12 ARG H H 11 7.443 7.912 -0.469 1
1 140 . 7 1 1 A 12 12 ARG HA H 11 4.493 4.351 0.142 1
1 147 . 7 1 1 A 12 12 ARG CA C 11 54.172 57.091 -2.919 1
1 148 . 7 1 1 A 12 12 ARG CB C 11 32.857 30.760 2.097 1
1 151 . 7 1 1 A 12 12 ARG N N 11 122.786 120.258 2.528 1
1 152 . 7 1 1 A 13 13 SER HA H 12 4.403 4.490 -0.087 1
1 155 . 7 1 1 A 13 13 SER C C 12 174.222 175.398 -1.176 1
1 156 . 7 1 1 A 13 13 SER CA C 12 58.274 59.852 -1.578 1
1 157 . 7 1 1 A 13 13 SER CB C 12 64.821 63.413 1.408 1
1 158 . 7 1 1 A 14 14 PHE H H 13 9.239 9.289 -0.050 1
1 159 . 7 1 1 A 14 14 PHE HA H 13 4.035 4.148 -0.113 1
1 165 . 7 1 1 A 14 14 PHE C C 13 176.023 177.257 -1.234 1
1 166 . 7 1 1 A 14 14 PHE CA C 13 62.790 62.639 0.151 1
1 167 . 7 1 1 A 14 14 PHE CB C 13 39.580 39.903 -0.323 1
1 169 . 7 1 1 A 14 14 PHE N N 13 123.729 126.131 -2.402 1
1 170 . 7 1 1 A 15 15 GLU H H 14 9.093 8.575 0.518 1
1 171 . 7 1 1 A 15 15 GLU HA H 14 3.813 4.011 -0.198 1
1 176 . 7 1 1 A 15 15 GLU C C 14 179.549 178.227 1.322 1
1 177 . 7 1 1 A 15 15 GLU CA C 14 60.444 59.894 0.550 1
1 178 . 7 1 1 A 15 15 GLU CB C 14 28.804 29.125 -0.321 1
1 180 . 7 1 1 A 15 15 GLU N N 14 115.336 117.692 -2.356 1
1 181 . 7 1 1 A 16 16 GLN H H 15 7.752 8.384 -0.632 1
1 182 . 7 1 1 A 16 16 GLN HA H 15 4.044 4.292 -0.248 1
1 189 . 7 1 1 A 16 16 GLN C C 15 177.931 177.989 -0.058 1
1 190 . 7 1 1 A 16 16 GLN CA C 15 58.486 57.670 0.816 1
1 191 . 7 1 1 A 16 16 GLN CB C 15 29.393 29.760 -0.367 1
1 194 . 7 1 1 A 16 16 GLN N N 15 119.145 118.545 0.600 1
1 196 . 7 1 1 A 17 17 ARG H H 16 8.577 8.272 0.305 1
1 197 . 7 1 1 A 17 17 ARG HA H 16 4.280 4.296 -0.016 1
1 202 . 7 1 1 A 17 17 ARG C C 16 177.128 178.964 -1.836 1
1 203 . 7 1 1 A 17 17 ARG CA C 16 61.442 58.572 2.870 1
1 204 . 7 1 1 A 17 17 ARG N N 16 121.288 119.318 1.970 1
1 205 . 7 1 1 A 18 18 VAL H H 17 8.329 8.272 0.057 1
1 206 . 7 1 1 A 18 18 VAL HA H 17 3.938 3.536 0.402 1
1 214 . 7 1 1 A 18 18 VAL C C 17 179.744 177.802 1.942 1
1 215 . 7 1 1 A 18 18 VAL CA C 17 65.441 66.287 -0.846 1
1 216 . 7 1 1 A 18 18 VAL CB C 17 32.080 31.492 0.588 1
1 219 . 7 1 1 A 18 18 VAL N N 17 116.752 120.251 -3.499 1
1 220 . 7 1 1 A 19 19 GLU H H 18 7.445 7.822 -0.377 1
1 221 . 7 1 1 A 19 19 GLU HA H 18 4.270 3.910 0.360 1
1 226 . 7 1 1 A 19 19 GLU C C 18 177.625 178.139 -0.514 1
1 227 . 7 1 1 A 19 19 GLU CA C 18 58.637 59.582 -0.945 1
1 228 . 7 1 1 A 19 19 GLU CB C 18 29.398 28.861 0.537 1
1 230 . 7 1 1 A 19 19 GLU N N 18 120.323 120.218 0.105 1
1 231 . 7 1 1 A 20 20 ASP H H 19 8.690 8.444 0.246 1
1 232 . 7 1 1 A 20 20 ASP HA H 19 4.514 4.369 0.145 1
1 235 . 7 1 1 A 20 20 ASP C C 19 179.877 179.026 0.851 1
1 236 . 7 1 1 A 20 20 ASP CA C 19 57.224 57.379 -0.155 1
1 237 . 7 1 1 A 20 20 ASP CB C 19 41.487 41.692 -0.205 1
1 238 . 7 1 1 A 20 20 ASP N N 19 120.313 119.968 0.345 1
1 239 . 7 1 1 A 21 21 VAL H H 20 7.731 7.906 -0.175 1
1 240 . 7 1 1 A 21 21 VAL HA H 20 3.394 3.254 0.140 1
1 248 . 7 1 1 A 21 21 VAL C C 20 176.989 177.609 -0.620 1
1 249 . 7 1 1 A 21 21 VAL CA C 20 65.989 66.268 -0.279 1
1 250 . 7 1 1 A 21 21 VAL CB C 20 31.291 31.362 -0.071 1
1 253 . 7 1 1 A 21 21 VAL N N 20 119.119 119.384 -0.265 1
1 254 . 7 1 1 A 22 22 ARG H H 21 8.313 8.183 0.130 1
1 255 . 7 1 1 A 22 22 ARG HA H 21 3.825 3.953 -0.128 1
1 263 . 7 1 1 A 22 22 ARG C C 21 180.178 178.657 1.521 1
1 264 . 7 1 1 A 22 22 ARG CA C 21 59.821 59.382 0.439 1
1 265 . 7 1 1 A 22 22 ARG CB C 21 30.164 29.970 0.194 1
1 269 . 7 1 1 A 22 22 ARG N N 21 120.772 120.002 0.770 1
1 271 . 7 1 1 A 23 23 LEU H H 22 8.306 7.616 0.690 1
1 272 . 7 1 1 A 23 23 LEU HA H 22 4.076 3.943 0.133 1
1 282 . 7 1 1 A 23 23 LEU C C 22 180.221 178.876 1.345 1
1 283 . 7 1 1 A 23 23 LEU CA C 22 57.541 57.977 -0.436 1
1 284 . 7 1 1 A 23 23 LEU CB C 22 42.300 41.864 0.436 1
1 288 . 7 1 1 A 23 23 LEU N N 22 116.413 119.224 -2.811 1
1 289 . 7 1 1 A 24 24 ILE H H 23 7.864 8.202 -0.338 1
1 290 . 7 1 1 A 24 24 ILE HA H 23 4.090 3.839 0.251 1
1 300 . 7 1 1 A 24 24 ILE C C 23 177.922 178.312 -0.390 1
1 301 . 7 1 1 A 24 24 ILE CA C 23 60.190 64.746 -4.556 1
1 302 . 7 1 1 A 24 24 ILE CB C 23 38.072 37.569 0.503 1
1 306 . 7 1 1 A 24 24 ILE N N 23 121.259 118.047 3.212 1
1 307 . 7 1 1 A 25 25 ARG H H 24 8.339 8.526 -0.187 1
1 308 . 7 1 1 A 25 25 ARG HA H 24 3.973 4.022 -0.049 1
1 316 . 7 1 1 A 25 25 ARG C C 24 178.479 178.081 0.398 1
1 317 . 7 1 1 A 25 25 ARG CA C 24 57.337 59.388 -2.051 1
1 318 . 7 1 1 A 25 25 ARG CB C 24 28.663 30.115 -1.452 1
1 322 . 7 1 1 A 25 25 ARG N N 24 121.816 121.335 0.481 1
1 324 . 7 1 1 A 26 26 GLU H H 25 7.133 8.555 -1.422 1
1 325 . 7 1 1 A 26 26 GLU HA H 25 4.052 4.214 -0.162 1
1 330 . 7 1 1 A 26 26 GLU C C 25 178.158 176.659 1.499 1
1 331 . 7 1 1 A 26 26 GLU CA C 25 58.367 57.279 1.088 1
1 332 . 7 1 1 A 26 26 GLU CB C 25 29.903 30.112 -0.209 1
1 334 . 7 1 1 A 26 26 GLU N N 25 116.794 117.258 -0.464 1
1 335 . 7 1 1 A 27 27 GLN H H 26 7.283 8.117 -0.834 1
1 336 . 7 1 1 A 27 27 GLN HA H 26 3.888 4.364 -0.476 1
1 343 . 7 1 1 A 27 27 GLN C C 26 176.088 175.843 0.245 1
1 344 . 7 1 1 A 27 27 GLN CA C 26 57.676 57.103 0.573 1
1 345 . 7 1 1 A 27 27 GLN CB C 26 30.382 30.743 -0.361 1
1 348 . 7 1 1 A 27 27 GLN N N 26 116.373 117.748 -1.375 1
1 350 . 7 1 1 A 28 28 HIS H H 27 8.223 8.590 -0.367 1
1 351 . 7 1 1 A 28 28 HIS HA H 27 4.941 5.045 -0.104 1
1 356 . 7 1 1 A 28 28 HIS CA C 27 53.278 53.147 0.131 1
1 357 . 7 1 1 A 28 28 HIS CB C 27 30.933 29.835 1.098 1
1 360 . 7 1 1 A 28 28 HIS N N 27 115.408 116.301 -0.893 1
1 361 . 7 1 1 A 29 29 PRO HA H 28 4.562 4.319 0.243 1
1 368 . 7 1 1 A 29 29 PRO C C 28 178.046 177.545 0.501 1
1 369 . 7 1 1 A 29 29 PRO CA C 28 64.821 64.587 0.234 1
1 370 . 7 1 1 A 29 29 PRO CB C 28 32.447 32.011 0.436 1
1 373 . 7 1 1 A 30 30 THR H H 29 7.820 7.765 0.055 1
1 374 . 7 1 1 A 30 30 THR HA H 29 4.583 4.345 0.238 1
1 379 . 7 1 1 A 30 30 THR C C 29 172.723 173.339 -0.616 1
1 380 . 7 1 1 A 30 30 THR CA C 29 60.826 61.478 -0.652 1
1 381 . 7 1 1 A 30 30 THR CB C 29 68.641 68.928 -0.287 1
1 383 . 7 1 1 A 30 30 THR N N 29 106.682 107.819 -1.137 1
1 384 . 7 1 1 A 31 31 LYS H H 30 7.453 7.494 -0.041 1
1 385 . 7 1 1 A 31 31 LYS HA H 30 4.850 4.948 -0.098 1
1 394 . 7 1 1 A 31 31 LYS C C 30 174.296 174.700 -0.404 1
1 395 . 7 1 1 A 31 31 LYS CA C 30 53.944 54.673 -0.729 1
1 396 . 7 1 1 A 31 31 LYS CB C 30 36.098 36.581 -0.483 1
1 400 . 7 1 1 A 31 31 LYS N N 30 117.809 120.488 -2.679 1
1 401 . 7 1 1 A 32 32 ILE H H 31 9.265 9.355 -0.090 1
1 402 . 7 1 1 A 32 32 ILE HA H 31 4.106 4.242 -0.136 1
1 412 . 7 1 1 A 32 32 ILE CA C 31 54.606 57.568 -2.962 1
1 413 . 7 1 1 A 32 32 ILE CB C 31 38.448 38.466 -0.018 1
1 417 . 7 1 1 A 32 32 ILE N N 31 122.497 123.027 -0.530 1
1 418 . 7 1 1 A 33 33 PRO HA H 32 5.252 4.823 0.429 1
1 425 . 7 1 1 A 33 33 PRO C C 32 174.652 176.637 -1.985 1
1 426 . 7 1 1 A 33 33 PRO CA C 32 61.704 62.421 -0.717 1
1 427 . 7 1 1 A 33 33 PRO CB C 32 31.873 31.971 -0.098 1
1 430 . 7 1 1 A 34 34 VAL H H 33 9.359 8.542 0.817 1
1 431 . 7 1 1 A 34 34 VAL HA H 33 5.298 5.122 0.176 1
1 439 . 7 1 1 A 34 34 VAL C C 33 173.633 174.879 -1.246 1
1 440 . 7 1 1 A 34 34 VAL CA C 33 59.830 59.533 0.297 1
1 441 . 7 1 1 A 34 34 VAL CB C 33 36.154 36.257 -0.103 1
1 444 . 7 1 1 A 34 34 VAL N N 33 124.496 116.466 8.030 1
1 445 . 7 1 1 A 35 35 ILE H H 34 8.667 9.068 -0.401 1
1 446 . 7 1 1 A 35 35 ILE HA H 34 4.867 4.688 0.179 1
1 456 . 7 1 1 A 35 35 ILE C C 34 175.770 174.882 0.888 1
1 457 . 7 1 1 A 35 35 ILE CA C 34 56.320 60.551 -4.231 1
1 458 . 7 1 1 A 35 35 ILE CB C 34 36.909 39.787 -2.878 1
1 462 . 7 1 1 A 35 35 ILE N N 34 127.447 121.906 5.541 1
1 463 . 7 1 1 A 36 36 ILE H H 35 8.422 8.892 -0.470 1
1 464 . 7 1 1 A 36 36 ILE HA H 35 4.890 5.272 -0.382 1
1 474 . 7 1 1 A 36 36 ILE C C 35 175.098 175.585 -0.487 1
1 475 . 7 1 1 A 36 36 ILE CA C 35 60.806 60.401 0.405 1
1 476 . 7 1 1 A 36 36 ILE CB C 35 39.357 39.079 0.278 1
1 480 . 7 1 1 A 36 36 ILE N N 35 124.267 128.887 -4.620 1
1 481 . 7 1 1 A 37 37 GLU H H 36 8.335 8.829 -0.494 1
1 482 . 7 1 1 A 37 37 GLU HA H 36 4.820 4.777 0.043 1
1 487 . 7 1 1 A 37 37 GLU C C 36 173.502 175.667 -2.165 1
1 488 . 7 1 1 A 37 37 GLU CA C 36 54.214 53.946 0.268 1
1 489 . 7 1 1 A 37 37 GLU CB C 36 35.547 33.147 2.400 1
1 491 . 7 1 1 A 37 37 GLU N N 36 123.296 125.796 -2.500 1
1 492 . 7 1 1 A 38 38 ARG H H 37 8.891 8.160 0.731 1
1 493 . 7 1 1 A 38 38 ARG HA H 37 2.755 3.650 -0.895 1
1 501 . 7 1 1 A 38 38 ARG C C 37 176.165 175.342 0.823 1
1 502 . 7 1 1 A 38 38 ARG CA C 37 56.235 56.040 0.195 1
1 503 . 7 1 1 A 38 38 ARG CB C 37 31.328 30.354 0.974 1
1 507 . 7 1 1 A 38 38 ARG N N 37 123.143 121.857 1.286 1
1 509 . 7 1 1 A 39 39 TYR H H 38 8.681 7.863 0.818 1
1 510 . 7 1 1 A 39 39 TYR HA H 38 4.331 4.387 -0.056 1
1 517 . 7 1 1 A 39 39 TYR C C 38 177.064 175.211 1.853 1
1 518 . 7 1 1 A 39 39 TYR CA C 38 57.769 59.023 -1.254 1
1 519 . 7 1 1 A 39 39 TYR CB C 38 39.552 38.862 0.690 1
1 522 . 7 1 1 A 39 39 TYR N N 38 128.699 123.200 5.499 1
1 523 . 7 1 1 A 40 40 LYS H H 39 8.454 7.886 0.568 1
1 524 . 7 1 1 A 40 40 LYS HA H 39 3.841 3.907 -0.066 1
1 533 . 7 1 1 A 40 40 LYS C C 39 176.290 176.606 -0.316 1
1 534 . 7 1 1 A 40 40 LYS CA C 39 58.772 56.638 2.134 1
1 535 . 7 1 1 A 40 40 LYS CB C 39 31.738 31.409 0.329 1
1 539 . 7 1 1 A 40 40 LYS N N 39 130.022 123.546 6.476 1
1 540 . 7 1 1 A 41 41 GLY H H 40 5.457 8.974 -3.517 1
1 541 . 7 1 1 A 41 41 GLY HA2 H 40 3.306 3.989 -0.683 1
1 542 . 7 1 1 A 41 41 GLY HA3 H 40 3.999 4.069 -0.070 1
1 543 . 7 1 1 A 41 41 GLY C C 40 173.426 174.247 -0.821 1
1 544 . 7 1 1 A 41 41 GLY CA C 40 44.673 45.153 -0.480 1
1 545 . 7 1 1 A 41 41 GLY N N 40 104.628 113.358 -8.730 1
1 546 . 7 1 1 A 42 42 GLU H H 41 7.440 8.417 -0.977 1
1 547 . 7 1 1 A 42 42 GLU HA H 41 4.278 4.557 -0.279 1
1 552 . 7 1 1 A 42 42 GLU C C 41 176.306 176.541 -0.235 1
1 553 . 7 1 1 A 42 42 GLU CA C 41 56.358 55.709 0.649 1
1 554 . 7 1 1 A 42 42 GLU CB C 41 31.014 29.916 1.098 1
1 556 . 7 1 1 A 42 42 GLU N N 41 122.648 120.928 1.720 1
1 557 . 7 1 1 A 43 43 LYS H H 42 8.912 8.453 0.459 1
1 558 . 7 1 1 A 43 43 LYS HA H 42 4.680 4.611 0.069 1
1 567 . 7 1 1 A 43 43 LYS C C 42 177.063 178.277 -1.214 1
1 568 . 7 1 1 A 43 43 LYS CA C 42 55.652 56.512 -0.860 1
1 569 . 7 1 1 A 43 43 LYS CB C 42 34.871 34.010 0.861 1
1 573 . 7 1 1 A 43 43 LYS N N 42 123.569 123.093 0.476 1
1 574 . 7 1 1 A 44 44 GLN H H 43 8.446 8.087 0.359 1
1 575 . 7 1 1 A 44 44 GLN HA H 43 4.545 4.053 0.492 1
1 582 . 7 1 1 A 44 44 GLN C C 43 177.152 177.108 0.044 1
1 583 . 7 1 1 A 44 44 GLN CA C 43 57.561 58.705 -1.144 1
1 584 . 7 1 1 A 44 44 GLN CB C 43 30.671 28.693 1.978 1
1 587 . 7 1 1 A 44 44 GLN N N 43 118.990 118.581 0.409 1
1 589 . 7 1 1 A 45 45 LEU H H 44 9.043 8.063 0.980 1
1 590 . 7 1 1 A 45 45 LEU HA H 44 4.716 4.525 0.191 1
1 600 . 7 1 1 A 45 45 LEU CA C 44 53.078 53.894 -0.816 1
1 601 . 7 1 1 A 45 45 LEU CB C 44 43.614 41.383 2.231 1
1 605 . 7 1 1 A 45 45 LEU N N 44 120.375 120.250 0.125 1
1 606 . 7 1 1 A 46 46 PRO HA H 45 4.723 4.677 0.046 1
1 613 . 7 1 1 A 46 46 PRO C C 45 175.883 175.976 -0.093 1
1 614 . 7 1 1 A 46 46 PRO CA C 45 62.005 62.255 -0.250 1
1 615 . 7 1 1 A 46 46 PRO CB C 45 32.609 32.476 0.133 1
1 618 . 7 1 1 A 47 47 VAL H H 46 8.437 8.558 -0.121 1
1 619 . 7 1 1 A 47 47 VAL HA H 46 3.914 4.361 -0.447 1
1 627 . 7 1 1 A 47 47 VAL C C 46 175.367 175.872 -0.505 1
1 628 . 7 1 1 A 47 47 VAL CA C 46 62.700 61.733 0.967 1
1 629 . 7 1 1 A 47 47 VAL CB C 46 32.927 31.948 0.979 1
1 632 . 7 1 1 A 47 47 VAL N N 46 118.440 121.094 -2.654 1
1 633 . 7 1 1 A 48 48 LEU H H 47 7.863 8.758 -0.895 1
1 634 . 7 1 1 A 48 48 LEU HA H 47 4.384 4.218 0.166 1
1 644 . 7 1 1 A 48 48 LEU C C 47 176.088 177.847 -1.759 1
1 645 . 7 1 1 A 48 48 LEU CA C 47 54.851 55.885 -1.034 1
1 646 . 7 1 1 A 48 48 LEU CB C 47 43.841 44.056 -0.215 1
1 650 . 7 1 1 A 48 48 LEU N N 47 129.127 129.132 -0.005 1
1 651 . 7 1 1 A 49 49 ASP H H 48 8.699 8.776 -0.077 1
1 652 . 7 1 1 A 49 49 ASP HA H 48 4.293 4.485 -0.192 1
1 655 . 7 1 1 A 49 49 ASP C C 48 175.121 175.789 -0.668 1
1 656 . 7 1 1 A 49 49 ASP CA C 48 55.717 56.349 -0.632 1
1 657 . 7 1 1 A 49 49 ASP CB C 48 40.260 40.654 -0.394 1
1 658 . 7 1 1 A 49 49 ASP N N 48 121.389 123.498 -2.109 1
1 659 . 7 1 1 A 50 50 LYS H H 49 7.251 7.569 -0.318 1
1 660 . 7 1 1 A 50 50 LYS HA H 49 4.540 4.482 0.058 1
1 669 . 7 1 1 A 50 50 LYS C C 49 174.664 175.011 -0.347 1
1 670 . 7 1 1 A 50 50 LYS CA C 49 53.211 55.139 -1.928 1
1 671 . 7 1 1 A 50 50 LYS CB C 49 35.514 33.267 2.247 1
1 675 . 7 1 1 A 50 50 LYS N N 49 118.260 116.708 1.552 1
1 676 . 7 1 1 A 51 51 THR H H 50 8.162 8.072 0.090 1
1 677 . 7 1 1 A 51 51 THR HA H 50 4.685 4.537 0.148 1
1 682 . 7 1 1 A 51 51 THR C C 50 171.631 174.671 -3.040 1
1 683 . 7 1 1 A 51 51 THR CA C 50 63.581 63.285 0.296 1
1 684 . 7 1 1 A 51 51 THR CB C 50 71.587 70.316 1.271 1
1 686 . 7 1 1 A 51 51 THR N N 50 112.535 113.472 -0.937 1
1 687 . 7 1 1 A 52 52 LYS H H 51 6.971 7.491 -0.520 1
1 688 . 7 1 1 A 52 52 LYS HA H 51 4.443 4.293 0.150 1
1 697 . 7 1 1 A 52 52 LYS C C 51 175.417 176.393 -0.976 1
1 698 . 7 1 1 A 52 52 LYS CA C 51 55.209 56.273 -1.064 1
1 699 . 7 1 1 A 52 52 LYS CB C 51 33.309 33.375 -0.066 1
1 703 . 7 1 1 A 52 52 LYS N N 51 120.227 119.445 0.782 1
1 704 . 7 1 1 A 53 53 PHE H H 52 9.688 8.600 1.088 1
1 705 . 7 1 1 A 53 53 PHE HA H 52 5.675 4.991 0.684 1
1 712 . 7 1 1 A 53 53 PHE C C 52 174.348 174.640 -0.292 1
1 713 . 7 1 1 A 53 53 PHE CA C 52 56.625 56.765 -0.140 1
1 714 . 7 1 1 A 53 53 PHE CB C 52 43.109 42.618 0.491 1
1 716 . 7 1 1 A 53 53 PHE N N 52 124.646 121.846 2.800 1
1 717 . 7 1 1 A 54 54 LEU H H 53 8.470 9.051 -0.581 1
1 718 . 7 1 1 A 54 54 LEU HA H 53 5.044 4.965 0.079 1
1 728 . 7 1 1 A 54 54 LEU C C 53 176.144 175.836 0.308 1
1 729 . 7 1 1 A 54 54 LEU CA C 53 52.954 53.563 -0.609 1
1 730 . 7 1 1 A 54 54 LEU CB C 53 45.081 42.051 3.030 1
1 734 . 7 1 1 A 54 54 LEU N N 53 119.430 124.716 -5.286 1
1 735 . 7 1 1 A 55 55 VAL H H 54 8.802 8.457 0.345 1
1 736 . 7 1 1 A 55 55 VAL HA H 54 4.640 4.550 0.090 1
1 744 . 7 1 1 A 55 55 VAL CA C 54 58.549 58.909 -0.360 1
1 745 . 7 1 1 A 55 55 VAL CB C 54 35.342 32.275 3.067 1
1 748 . 7 1 1 A 55 55 VAL N N 54 123.841 125.673 -1.832 1
1 749 . 7 1 1 A 56 56 PRO HA H 55 4.439 4.685 -0.246 1
1 756 . 7 1 1 A 56 56 PRO C C 55 176.666 176.367 0.299 1
1 757 . 7 1 1 A 56 56 PRO CA C 55 64.256 62.603 1.653 1
1 758 . 7 1 1 A 56 56 PRO CB C 55 32.783 32.374 0.409 1
1 761 . 7 1 1 A 57 57 ASP H H 56 8.412 7.867 0.545 1
1 762 . 7 1 1 A 57 57 ASP HA H 56 3.848 4.642 -0.794 1
1 765 . 7 1 1 A 57 57 ASP C C 56 175.417 176.739 -1.322 1
1 766 . 7 1 1 A 57 57 ASP CA C 56 56.616 53.766 2.850 1
1 767 . 7 1 1 A 57 57 ASP CB C 56 40.410 40.373 0.037 1
1 768 . 7 1 1 A 57 57 ASP N N 56 120.415 121.794 -1.379 1
1 769 . 7 1 1 A 58 58 HIS H H 57 7.373 8.187 -0.814 1
1 770 . 7 1 1 A 58 58 HIS HA H 57 4.770 4.863 -0.093 1
1 775 . 7 1 1 A 58 58 HIS C C 57 176.594 174.100 2.494 1
1 776 . 7 1 1 A 58 58 HIS CA C 57 55.584 55.128 0.456 1
1 777 . 7 1 1 A 58 58 HIS CB C 57 30.628 31.485 -0.857 1
1 780 . 7 1 1 A 58 58 HIS N N 57 113.439 114.591 -1.152 1
1 781 . 7 1 1 A 59 59 VAL H H 58 7.249 7.654 -0.405 1
1 782 . 7 1 1 A 59 59 VAL HA H 58 3.903 4.769 -0.866 1
1 790 . 7 1 1 A 59 59 VAL C C 58 175.014 174.188 0.826 1
1 791 . 7 1 1 A 59 59 VAL CA C 58 62.726 58.974 3.752 1
1 792 . 7 1 1 A 59 59 VAL CB C 58 32.190 36.269 -4.079 1
1 795 . 7 1 1 A 59 59 VAL N N 58 122.597 115.573 7.024 1
1 796 . 7 1 1 A 60 60 ASN H H 59 8.677 8.399 0.278 1
1 797 . 7 1 1 A 60 60 ASN HA H 59 5.187 5.066 0.121 1
1 802 . 7 1 1 A 60 60 ASN C C 59 176.477 177.056 -0.579 1
1 803 . 7 1 1 A 60 60 ASN CA C 59 51.181 51.000 0.181 1
1 804 . 7 1 1 A 60 60 ASN CB C 59 39.947 40.585 -0.638 1
1 806 . 7 1 1 A 60 60 ASN N N 59 122.962 117.825 5.137 1
1 808 . 7 1 1 A 61 61 MET H H 60 8.038 8.567 -0.529 1
1 809 . 7 1 1 A 61 61 MET HA H 60 4.426 4.229 0.197 1
1 817 . 7 1 1 A 61 61 MET C C 60 177.996 178.349 -0.353 1
1 818 . 7 1 1 A 61 61 MET CA C 60 57.118 58.330 -1.212 1
1 819 . 7 1 1 A 61 61 MET CB C 60 29.998 32.003 -2.005 1
1 822 . 7 1 1 A 61 61 MET N N 60 116.814 118.343 -1.529 1
1 823 . 7 1 1 A 62 62 SER H H 61 8.401 8.257 0.144 1
1 824 . 7 1 1 A 62 62 SER HA H 61 4.132 4.104 0.028 1
1 827 . 7 1 1 A 62 62 SER C C 61 177.255 177.440 -0.185 1
1 828 . 7 1 1 A 62 62 SER CA C 61 61.559 61.486 0.073 1
1 829 . 7 1 1 A 62 62 SER CB C 61 62.430 63.115 -0.685 1
1 830 . 7 1 1 A 62 62 SER N N 61 114.109 115.285 -1.176 1
1 831 . 7 1 1 A 63 63 GLU H H 62 8.014 8.213 -0.199 1
1 832 . 7 1 1 A 63 63 GLU HA H 62 4.016 3.944 0.072 1
1 837 . 7 1 1 A 63 63 GLU C C 62 178.327 178.630 -0.303 1
1 838 . 7 1 1 A 63 63 GLU CA C 62 58.787 59.337 -0.550 1
1 839 . 7 1 1 A 63 63 GLU CB C 62 29.814 29.308 0.506 1
1 841 . 7 1 1 A 63 63 GLU N N 62 122.806 121.336 1.470 1
1 842 . 7 1 1 A 64 64 LEU H H 63 8.254 8.192 0.062 1
1 843 . 7 1 1 A 64 64 LEU HA H 63 3.932 3.908 0.024 1
1 853 . 7 1 1 A 64 64 LEU C C 63 178.029 178.439 -0.410 1
1 854 . 7 1 1 A 64 64 LEU CA C 63 57.986 58.629 -0.643 1
1 855 . 7 1 1 A 64 64 LEU CB C 63 41.377 41.964 -0.587 1
1 859 . 7 1 1 A 64 64 LEU N N 63 120.526 121.833 -1.307 1
1 860 . 7 1 1 A 65 65 ILE H H 64 8.415 8.070 0.345 1
1 861 . 7 1 1 A 65 65 ILE HA H 64 3.377 3.454 -0.077 1
1 871 . 7 1 1 A 65 65 ILE C C 64 177.078 177.726 -0.648 1
1 872 . 7 1 1 A 65 65 ILE CA C 64 66.699 65.511 1.188 1
1 873 . 7 1 1 A 65 65 ILE CB C 64 38.128 38.133 -0.005 1
1 877 . 7 1 1 A 65 65 ILE N N 64 118.349 119.913 -1.564 1
1 878 . 7 1 1 A 66 66 LYS H H 65 7.366 8.168 -0.802 1
1 879 . 7 1 1 A 66 66 LYS HA H 65 3.696 3.916 -0.220 1
1 888 . 7 1 1 A 66 66 LYS C C 65 179.260 178.712 0.548 1
1 889 . 7 1 1 A 66 66 LYS CA C 65 60.593 58.830 1.763 1
1 890 . 7 1 1 A 66 66 LYS CB C 65 32.421 32.281 0.140 1
1 894 . 7 1 1 A 66 66 LYS N N 65 118.334 118.533 -0.199 1
1 895 . 7 1 1 A 67 67 ILE H H 66 8.179 7.477 0.702 1
1 896 . 7 1 1 A 67 67 ILE HA H 66 3.546 3.757 -0.211 1
1 906 . 7 1 1 A 67 67 ILE C C 66 178.784 177.663 1.121 1
1 907 . 7 1 1 A 67 67 ILE CA C 66 65.488 64.361 1.127 1
1 908 . 7 1 1 A 67 67 ILE CB C 66 38.593 37.983 0.610 1
1 912 . 7 1 1 A 67 67 ILE N N 66 119.791 119.783 0.008 1
1 913 . 7 1 1 A 68 68 ILE H H 67 8.279 8.240 0.039 1
1 914 . 7 1 1 A 68 68 ILE HA H 67 3.391 3.273 0.118 1
1 924 . 7 1 1 A 68 68 ILE C C 67 177.403 177.634 -0.231 1
1 925 . 7 1 1 A 68 68 ILE CA C 67 63.144 64.911 -1.767 1
1 926 . 7 1 1 A 68 68 ILE CB C 67 35.269 37.387 -2.118 1
1 930 . 7 1 1 A 68 68 ILE N N 67 120.267 120.314 -0.047 1
1 931 . 7 1 1 A 69 69 ARG H H 68 8.454 7.529 0.925 1
1 932 . 7 1 1 A 69 69 ARG HA H 68 2.966 3.591 -0.625 1
1 939 . 7 1 1 A 69 69 ARG C C 68 178.385 178.086 0.299 1
1 940 . 7 1 1 A 69 69 ARG CA C 68 60.642 58.509 2.133 1
1 941 . 7 1 1 A 69 69 ARG CB C 68 30.442 29.721 0.721 1
1 944 . 7 1 1 A 69 69 ARG N N 68 118.881 120.188 -1.307 1
1 945 . 7 1 1 A 70 70 ARG H H 69 7.492 8.129 -0.637 1
1 946 . 7 1 1 A 70 70 ARG HA H 69 4.164 3.914 0.250 1
1 954 . 7 1 1 A 70 70 ARG C C 69 180.253 178.763 1.490 1
1 955 . 7 1 1 A 70 70 ARG CA C 69 58.510 59.466 -0.956 1
1 956 . 7 1 1 A 70 70 ARG CB C 69 29.587 29.885 -0.298 1
1 960 . 7 1 1 A 70 70 ARG N N 69 116.411 119.454 -3.043 1
1 962 . 7 1 1 A 71 71 ARG H H 70 8.086 8.032 0.054 1
1 963 . 7 1 1 A 71 71 ARG HA H 70 4.025 4.036 -0.011 1
1 970 . 7 1 1 A 71 71 ARG C C 70 178.558 178.559 -0.001 1
1 971 . 7 1 1 A 71 71 ARG CA C 70 59.428 59.164 0.264 1
1 972 . 7 1 1 A 71 71 ARG CB C 70 30.235 30.361 -0.126 1
1 975 . 7 1 1 A 71 71 ARG N N 70 122.779 118.978 3.801 1
1 976 . 7 1 1 A 72 72 LEU H H 71 7.755 7.624 0.131 1
1 977 . 7 1 1 A 72 72 LEU HA H 71 4.081 4.176 -0.095 1
1 987 . 7 1 1 A 72 72 LEU C C 71 174.852 176.434 -1.582 1
1 988 . 7 1 1 A 72 72 LEU CA C 71 55.060 55.282 -0.222 1
1 989 . 7 1 1 A 72 72 LEU CB C 71 43.109 41.885 1.224 1
1 993 . 7 1 1 A 72 72 LEU N N 71 116.551 118.645 -2.094 1
1 994 . 7 1 1 A 73 73 GLN H H 72 7.740 7.782 -0.042 1
1 995 . 7 1 1 A 73 73 GLN HA H 72 3.853 3.948 -0.095 1
1 1002 . 7 1 1 A 73 73 GLN C C 72 175.619 175.051 0.568 1
1 1003 . 7 1 1 A 73 73 GLN CA C 72 56.273 56.550 -0.277 1
1 1004 . 7 1 1 A 73 73 GLN CB C 72 25.939 26.325 -0.386 1
1 1007 . 7 1 1 A 73 73 GLN N N 72 114.737 117.855 -3.118 1
1 1009 . 7 1 1 A 74 74 LEU H H 73 7.525 7.498 0.027 1
1 1010 . 7 1 1 A 74 74 LEU HA H 73 4.242 4.339 -0.097 1
1 1020 . 7 1 1 A 74 74 LEU C C 73 178.611 177.372 1.239 1
1 1021 . 7 1 1 A 74 74 LEU CA C 73 54.382 54.762 -0.380 1
1 1022 . 7 1 1 A 74 74 LEU CB C 73 41.995 42.444 -0.449 1
1 1026 . 7 1 1 A 74 74 LEU N N 73 114.861 120.626 -5.765 1
1 1027 . 7 1 1 A 75 75 ASN H H 74 8.970 8.801 0.169 1
1 1028 . 7 1 1 A 75 75 ASN HA H 74 4.694 4.844 -0.150 1
1 1033 . 7 1 1 A 75 75 ASN C C 74 176.527 176.544 -0.017 1
1 1034 . 7 1 1 A 75 75 ASN CA C 74 52.686 53.139 -0.453 1
1 1035 . 7 1 1 A 75 75 ASN CB C 74 39.583 39.515 0.068 1
1 1037 . 7 1 1 A 75 75 ASN N N 74 121.274 119.184 2.090 1
1 1039 . 7 1 1 A 76 76 ALA H H 75 8.697 8.604 0.093 1
1 1040 . 7 1 1 A 76 76 ALA HA H 75 3.966 4.232 -0.266 1
1 1044 . 7 1 1 A 76 76 ALA C C 75 178.002 177.957 0.045 1
1 1045 . 7 1 1 A 76 76 ALA CA C 75 54.797 53.487 1.310 1
1 1046 . 7 1 1 A 76 76 ALA CB C 75 18.669 18.778 -0.109 1
1 1047 . 7 1 1 A 76 76 ALA N N 75 123.590 123.293 0.297 1
1 1048 . 7 1 1 A 77 77 ASN H H 76 8.344 7.932 0.412 1
1 1049 . 7 1 1 A 77 77 ASN HA H 76 4.585 4.773 -0.188 1
1 1054 . 7 1 1 A 77 77 ASN C C 76 175.371 175.530 -0.159 1
1 1055 . 7 1 1 A 77 77 ASN CA C 76 53.183 54.131 -0.948 1
1 1056 . 7 1 1 A 77 77 ASN CB C 76 38.277 40.176 -1.899 1
1 1058 . 7 1 1 A 77 77 ASN N N 76 112.004 115.911 -3.907 1
1 1060 . 7 1 1 A 78 78 GLN H H 77 7.532 7.928 -0.396 1
1 1061 . 7 1 1 A 78 78 GLN HA H 77 4.281 4.153 0.128 1
1 1068 . 7 1 1 A 78 78 GLN C C 77 175.001 175.107 -0.106 1
1 1069 . 7 1 1 A 78 78 GLN CA C 77 55.875 57.036 -1.161 1
1 1070 . 7 1 1 A 78 78 GLN CB C 77 30.227 29.478 0.749 1
1 1073 . 7 1 1 A 78 78 GLN N N 77 120.237 119.496 0.741 1
1 1075 . 7 1 1 A 79 79 ALA H H 78 8.732 8.319 0.413 1
1 1076 . 7 1 1 A 79 79 ALA HA H 78 4.183 5.438 -1.255 1
1 1080 . 7 1 1 A 79 79 ALA C C 78 176.367 175.848 0.519 1
1 1081 . 7 1 1 A 79 79 ALA CA C 78 52.798 50.198 2.600 1
1 1082 . 7 1 1 A 79 79 ALA CB C 78 20.051 22.388 -2.337 1
1 1083 . 7 1 1 A 79 79 ALA N N 78 130.399 123.045 7.354 1
1 1084 . 7 1 1 A 80 80 PHE H H 79 7.603 8.461 -0.858 1
1 1085 . 7 1 1 A 80 80 PHE HA H 79 4.449 5.262 -0.813 1
1 1093 . 7 1 1 A 80 80 PHE C C 79 171.709 172.740 -1.031 1
1 1094 . 7 1 1 A 80 80 PHE CA C 79 59.101 57.319 1.782 1
1 1095 . 7 1 1 A 80 80 PHE CB C 79 42.282 42.780 -0.498 1
1 1099 . 7 1 1 A 80 80 PHE N N 79 118.988 122.657 -3.669 1
1 1100 . 7 1 1 A 81 81 PHE H H 80 8.507 8.870 -0.363 1
1 1101 . 7 1 1 A 81 81 PHE HA H 80 4.421 4.948 -0.527 1
1 1109 . 7 1 1 A 81 81 PHE C C 80 172.644 173.728 -1.084 1
1 1110 . 7 1 1 A 81 81 PHE CA C 80 56.711 56.101 0.610 1
1 1111 . 7 1 1 A 81 81 PHE CB C 80 41.880 42.471 -0.591 1
1 1115 . 7 1 1 A 81 81 PHE N N 80 126.042 124.865 1.177 1
1 1116 . 7 1 1 A 82 82 LEU H H 81 8.199 8.948 -0.749 1
1 1117 . 7 1 1 A 82 82 LEU HA H 81 4.883 4.748 0.135 1
1 1127 . 7 1 1 A 82 82 LEU C C 81 174.440 174.852 -0.412 1
1 1128 . 7 1 1 A 82 82 LEU CA C 81 53.153 54.153 -1.000 1
1 1129 . 7 1 1 A 82 82 LEU CB C 81 45.520 42.781 2.739 1
1 1133 . 7 1 1 A 82 82 LEU N N 81 121.512 125.866 -4.354 1
1 1134 . 7 1 1 A 83 83 LEU H H 82 9.349 9.677 -0.328 1
1 1135 . 7 1 1 A 83 83 LEU HA H 82 4.810 4.890 -0.080 1
1 1145 . 7 1 1 A 83 83 LEU C C 82 177.075 175.629 1.446 1
1 1146 . 7 1 1 A 83 83 LEU CA C 82 54.122 53.611 0.511 1
1 1147 . 7 1 1 A 83 83 LEU CB C 82 43.394 42.215 1.179 1
1 1151 . 7 1 1 A 83 83 LEU N N 82 125.253 129.440 -4.187 1
1 1152 . 7 1 1 A 84 84 VAL H H 83 8.681 9.109 -0.428 1
1 1153 . 7 1 1 A 84 84 VAL HA H 83 4.411 4.241 0.170 1
1 1161 . 7 1 1 A 84 84 VAL C C 83 175.797 176.155 -0.358 1
1 1162 . 7 1 1 A 84 84 VAL CA C 83 61.630 61.412 0.218 1
1 1163 . 7 1 1 A 84 84 VAL CB C 83 33.647 31.096 2.551 1
1 1166 . 7 1 1 A 84 84 VAL N N 83 123.543 125.474 -1.931 1
1 1167 . 7 1 1 A 85 85 ASN H H 84 9.622 9.386 0.236 1
1 1168 . 7 1 1 A 85 85 ASN HA H 84 4.399 4.637 -0.238 1
1 1173 . 7 1 1 A 85 85 ASN C C 84 175.042 175.143 -0.101 1
1 1174 . 7 1 1 A 85 85 ASN CA C 84 54.610 54.291 0.319 1
1 1175 . 7 1 1 A 85 85 ASN CB C 84 37.927 36.940 0.987 1
1 1177 . 7 1 1 A 85 85 ASN N N 84 125.848 127.155 -1.307 1
1 1179 . 7 1 1 A 86 86 GLY H H 85 8.551 8.381 0.170 1
1 1180 . 7 1 1 A 86 86 GLY HA2 H 85 3.368 3.896 -0.528 1
1 1181 . 7 1 1 A 86 86 GLY HA3 H 85 4.064 3.908 0.156 1
1 1182 . 7 1 1 A 86 86 GLY C C 85 173.524 173.736 -0.212 1
1 1183 . 7 1 1 A 86 86 GLY CA C 85 45.588 45.405 0.183 1
1 1184 . 7 1 1 A 86 86 GLY N N 85 101.093 104.343 -3.250 1
1 1185 . 7 1 1 A 87 87 HIS H H 86 7.906 7.333 0.573 1
1 1186 . 7 1 1 A 87 87 HIS HA H 86 5.003 5.237 -0.234 1
1 1191 . 7 1 1 A 87 87 HIS C C 86 173.910 174.355 -0.445 1
1 1192 . 7 1 1 A 87 87 HIS CA C 86 54.213 53.740 0.473 1
1 1193 . 7 1 1 A 87 87 HIS CB C 86 31.482 32.890 -1.408 1
1 1196 . 7 1 1 A 87 87 HIS N N 86 117.253 116.177 1.076 1
1 1197 . 7 1 1 A 88 88 SER H H 87 8.846 8.859 -0.013 1
1 1198 . 7 1 1 A 88 88 SER HA H 87 4.702 4.576 0.126 1
1 1201 . 7 1 1 A 88 88 SER C C 87 175.739 175.494 0.245 1
1 1202 . 7 1 1 A 88 88 SER CA C 87 58.245 58.159 0.086 1
1 1203 . 7 1 1 A 88 88 SER CB C 87 63.764 64.739 -0.975 1
1 1204 . 7 1 1 A 88 88 SER N N 87 117.469 117.268 0.201 1
1 1205 . 7 1 1 A 89 89 MET H H 88 9.174 8.600 0.574 1
1 1206 . 7 1 1 A 89 89 MET HA H 88 4.820 4.889 -0.069 1
1 1214 . 7 1 1 A 89 89 MET C C 88 176.294 176.409 -0.115 1
1 1215 . 7 1 1 A 89 89 MET CA C 88 54.853 54.446 0.407 1
1 1216 . 7 1 1 A 89 89 MET CB C 88 33.183 32.109 1.074 1
1 1219 . 7 1 1 A 89 89 MET N N 88 125.111 119.422 5.689 1
1 1220 . 7 1 1 A 90 90 VAL H H 89 8.217 7.622 0.595 1
1 1221 . 7 1 1 A 90 90 VAL HA H 89 4.063 3.799 0.264 1
1 1229 . 7 1 1 A 90 90 VAL C C 89 176.249 176.878 -0.629 1
1 1230 . 7 1 1 A 90 90 VAL CA C 89 63.377 63.661 -0.284 1
1 1231 . 7 1 1 A 90 90 VAL CB C 89 32.473 31.597 0.876 1
1 1234 . 7 1 1 A 90 90 VAL N N 89 120.477 121.314 -0.837 1
1 1235 . 7 1 1 A 91 91 SER H H 90 8.356 8.852 -0.496 1
1 1236 . 7 1 1 A 91 91 SER HA H 90 4.614 4.125 0.489 1
1 1239 . 7 1 1 A 91 91 SER C C 90 175.841 173.660 2.181 1
1 1240 . 7 1 1 A 91 91 SER CA C 90 57.860 59.958 -2.098 1
1 1241 . 7 1 1 A 91 91 SER CB C 90 63.398 61.361 2.037 1
1 1242 . 7 1 1 A 91 91 SER N N 90 116.676 119.299 -2.623 1
1 1243 . 7 1 1 A 92 92 VAL H H 91 8.158 7.706 0.452 1
1 1244 . 7 1 1 A 92 92 VAL HA H 91 4.245 3.976 0.269 1
1 1252 . 7 1 1 A 92 92 VAL C C 91 175.856 175.640 0.216 1
1 1253 . 7 1 1 A 92 92 VAL CA C 91 63.121 63.472 -0.351 1
1 1254 . 7 1 1 A 92 92 VAL CB C 91 31.872 32.106 -0.234 1
1 1257 . 7 1 1 A 92 92 VAL N N 91 119.994 121.976 -1.982 1
1 1258 . 7 1 1 A 93 93 SER H H 92 8.368 8.840 -0.472 1
1 1259 . 7 1 1 A 93 93 SER HA H 92 4.581 4.759 -0.178 1
1 1262 . 7 1 1 A 93 93 SER C C 92 174.154 173.211 0.943 1
1 1263 . 7 1 1 A 93 93 SER CA C 92 57.706 57.204 0.502 1
1 1264 . 7 1 1 A 93 93 SER CB C 92 63.126 64.374 -1.248 1
1 1265 . 7 1 1 A 93 93 SER N N 92 116.504 126.483 -9.979 1
1 1266 . 7 1 1 A 94 94 THR H H 93 7.427 7.515 -0.088 1
1 1267 . 7 1 1 A 94 94 THR HA H 93 4.464 4.640 -0.176 1
1 1272 . 7 1 1 A 94 94 THR CA C 93 61.032 59.132 1.900 1
1 1273 . 7 1 1 A 94 94 THR CB C 93 70.505 71.598 -1.093 1
1 1275 . 7 1 1 A 94 94 THR N N 93 119.172 115.661 3.511 1
1 1276 . 7 1 1 A 95 95 PRO HA H 94 4.426 4.711 -0.285 1
1 1283 . 7 1 1 A 95 95 PRO C C 94 178.692 178.020 0.672 1
1 1284 . 7 1 1 A 95 95 PRO CA C 94 62.921 62.704 0.217 1
1 1285 . 7 1 1 A 95 95 PRO CB C 94 32.774 32.448 0.326 1
1 1288 . 7 1 1 A 96 96 ILE H H 95 9.324 9.053 0.271 1
1 1289 . 7 1 1 A 96 96 ILE HA H 95 3.956 4.016 -0.060 1
1 1299 . 7 1 1 A 96 96 ILE C C 95 176.415 176.904 -0.489 1
1 1300 . 7 1 1 A 96 96 ILE CA C 95 63.880 63.527 0.353 1
1 1301 . 7 1 1 A 96 96 ILE CB C 95 38.055 38.012 0.043 1
1 1305 . 7 1 1 A 96 96 ILE N N 95 123.862 125.556 -1.694 1
1 1306 . 7 1 1 A 97 97 SER H H 96 8.211 8.396 -0.185 1
1 1307 . 7 1 1 A 97 97 SER HA H 96 3.978 4.105 -0.127 1
1 1310 . 7 1 1 A 97 97 SER C C 96 176.494 177.337 -0.843 1
1 1311 . 7 1 1 A 97 97 SER CA C 96 61.576 61.475 0.101 1
1 1312 . 7 1 1 A 97 97 SER CB C 96 61.262 62.311 -1.049 1
1 1313 . 7 1 1 A 97 97 SER N N 96 116.529 117.468 -0.939 1
1 1314 . 7 1 1 A 98 98 GLU H H 97 7.329 8.036 -0.707 1
1 1315 . 7 1 1 A 98 98 GLU HA H 97 4.290 4.292 -0.002 1
1 1320 . 7 1 1 A 98 98 GLU C C 97 179.288 178.890 0.398 1
1 1321 . 7 1 1 A 98 98 GLU CA C 97 58.705 59.253 -0.548 1
1 1322 . 7 1 1 A 98 98 GLU CB C 97 29.791 30.317 -0.526 1
1 1324 . 7 1 1 A 98 98 GLU N N 97 122.955 122.807 0.148 1
1 1325 . 7 1 1 A 99 99 VAL H H 98 7.386 8.341 -0.955 1
1 1326 . 7 1 1 A 99 99 VAL HA H 98 3.815 3.828 -0.013 1
1 1334 . 7 1 1 A 99 99 VAL C C 98 177.662 178.262 -0.600 1
1 1335 . 7 1 1 A 99 99 VAL CA C 98 65.774 65.957 -0.183 1
1 1336 . 7 1 1 A 99 99 VAL CB C 98 32.047 31.788 0.259 1
1 1339 . 7 1 1 A 99 99 VAL N N 98 120.888 120.868 0.020 1
1 1340 . 7 1 1 A 100 100 TYR H H 99 8.984 7.824 1.160 1
1 1341 . 7 1 1 A 100 100 TYR HA H 99 4.013 4.224 -0.211 1
1 1348 . 7 1 1 A 100 100 TYR C C 99 176.355 178.380 -2.025 1
1 1349 . 7 1 1 A 100 100 TYR CA C 99 62.118 61.397 0.721 1
1 1350 . 7 1 1 A 100 100 TYR CB C 99 38.921 39.004 -0.083 1
1 1353 . 7 1 1 A 100 100 TYR N N 99 118.874 120.950 -2.076 1
1 1354 . 7 1 1 A 101 101 GLU H H 100 7.433 8.538 -1.105 1
1 1355 . 7 1 1 A 101 101 GLU HA H 100 3.833 4.101 -0.268 1
1 1360 . 7 1 1 A 101 101 GLU C C 100 177.674 176.882 0.792 1
1 1361 . 7 1 1 A 101 101 GLU CA C 100 58.895 58.032 0.863 1
1 1362 . 7 1 1 A 101 101 GLU CB C 100 29.577 28.502 1.075 1
1 1364 . 7 1 1 A 101 101 GLU N N 100 114.383 117.917 -3.534 1
1 1365 . 7 1 1 A 102 102 SER H H 101 7.423 8.260 -0.837 1
1 1366 . 7 1 1 A 102 102 SER HA H 101 4.552 4.547 0.005 1
1 1369 . 7 1 1 A 102 102 SER C C 101 176.554 174.766 1.788 1
1 1370 . 7 1 1 A 102 102 SER CA C 101 60.200 58.996 1.204 1
1 1371 . 7 1 1 A 102 102 SER CB C 101 64.828 64.252 0.576 1
1 1372 . 7 1 1 A 102 102 SER N N 101 108.722 115.114 -6.392 1
1 1373 . 7 1 1 A 103 103 GLU H H 102 8.488 8.036 0.452 1
1 1374 . 7 1 1 A 103 103 GLU HA H 102 4.752 4.477 0.275 1
1 1379 . 7 1 1 A 103 103 GLU C C 102 176.653 176.379 0.274 1
1 1380 . 7 1 1 A 103 103 GLU CA C 102 55.464 57.445 -1.981 1
1 1381 . 7 1 1 A 103 103 GLU CB C 102 30.611 31.675 -1.064 1
1 1383 . 7 1 1 A 103 103 GLU N N 102 116.116 118.583 -2.467 1
1 1384 . 7 1 1 A 104 104 ARG H H 103 7.511 7.655 -0.144 1
1 1385 . 7 1 1 A 104 104 ARG HA H 103 4.241 4.290 -0.049 1
1 1392 . 7 1 1 A 104 104 ARG C C 103 174.634 174.955 -0.321 1
1 1393 . 7 1 1 A 104 104 ARG CA C 103 56.926 56.188 0.738 1
1 1394 . 7 1 1 A 104 104 ARG CB C 103 29.713 29.954 -0.241 1
1 1397 . 7 1 1 A 104 104 ARG N N 103 117.180 118.731 -1.551 1
1 1398 . 7 1 1 A 105 105 ASP H H 104 9.069 8.270 0.799 1
1 1399 . 7 1 1 A 105 105 ASP HA H 104 4.774 4.964 -0.190 1
1 1402 . 7 1 1 A 105 105 ASP C C 104 177.460 176.448 1.012 1
1 1403 . 7 1 1 A 105 105 ASP CA C 104 53.852 51.949 1.903 1
1 1404 . 7 1 1 A 105 105 ASP CB C 104 43.424 44.124 -0.700 1
1 1405 . 7 1 1 A 105 105 ASP N N 104 123.349 122.187 1.162 1
1 1406 . 7 1 1 A 106 106 GLU H H 105 8.982 8.898 0.084 1
1 1407 . 7 1 1 A 106 106 GLU HA H 105 4.199 4.041 0.158 1
1 1412 . 7 1 1 A 106 106 GLU C C 105 177.398 178.145 -0.747 1
1 1413 . 7 1 1 A 106 106 GLU CA C 105 59.413 59.378 0.035 1
1 1414 . 7 1 1 A 106 106 GLU CB C 105 29.983 29.304 0.679 1
1 1416 . 7 1 1 A 106 106 GLU N N 105 125.197 123.274 1.923 1
1 1417 . 7 1 1 A 107 107 ASP H H 106 9.873 8.113 1.760 1
1 1418 . 7 1 1 A 107 107 ASP HA H 106 4.211 4.141 0.070 1
1 1421 . 7 1 1 A 107 107 ASP C C 106 175.775 176.733 -0.958 1
1 1422 . 7 1 1 A 107 107 ASP CA C 106 54.698 54.918 -0.220 1
1 1423 . 7 1 1 A 107 107 ASP CB C 106 40.187 41.739 -1.552 1
1 1424 . 7 1 1 A 107 107 ASP N N 106 118.717 116.878 1.839 1
1 1425 . 7 1 1 A 108 108 GLY H H 107 7.971 8.206 -0.235 1
1 1426 . 7 1 1 A 108 108 GLY HA2 H 107 3.431 3.915 -0.484 1
1 1427 . 7 1 1 A 108 108 GLY HA3 H 107 4.526 3.949 0.577 1
1 1428 . 7 1 1 A 108 108 GLY C C 107 175.138 174.195 0.943 1
1 1429 . 7 1 1 A 108 108 GLY CA C 107 45.029 45.502 -0.473 1
1 1430 . 7 1 1 A 108 108 GLY N N 107 105.017 108.882 -3.865 1
1 1431 . 7 1 1 A 109 109 PHE H H 108 9.799 8.147 1.652 1
1 1432 . 7 1 1 A 109 109 PHE HA H 108 4.607 4.928 -0.321 1
1 1440 . 7 1 1 A 109 109 PHE C C 108 175.171 175.076 0.095 1
1 1441 . 7 1 1 A 109 109 PHE CA C 108 60.222 56.670 3.552 1
1 1442 . 7 1 1 A 109 109 PHE CB C 108 40.433 41.799 -1.366 1
1 1446 . 7 1 1 A 109 109 PHE N N 108 123.309 118.493 4.816 1
1 1447 . 7 1 1 A 110 110 LEU H H 109 8.061 8.967 -0.906 1
1 1448 . 7 1 1 A 110 110 LEU HA H 109 5.022 4.543 0.479 1
1 1458 . 7 1 1 A 110 110 LEU C C 109 174.033 175.933 -1.900 1
1 1459 . 7 1 1 A 110 110 LEU CA C 109 53.539 54.792 -1.253 1
1 1460 . 7 1 1 A 110 110 LEU CB C 109 45.284 42.448 2.836 1
1 1464 . 7 1 1 A 110 110 LEU N N 109 119.999 124.571 -4.572 1
1 1465 . 7 1 1 A 111 111 TYR H H 110 9.363 9.349 0.014 1
1 1466 . 7 1 1 A 111 111 TYR HA H 110 4.906 5.152 -0.246 1
1 1473 . 7 1 1 A 111 111 TYR C C 110 176.538 174.932 1.606 1
1 1474 . 7 1 1 A 111 111 TYR CA C 110 59.335 56.630 2.705 1
1 1475 . 7 1 1 A 111 111 TYR CB C 110 39.485 40.074 -0.589 1
1 1478 . 7 1 1 A 111 111 TYR N N 110 126.322 122.979 3.343 1
1 1479 . 7 1 1 A 112 112 MET H H 111 9.496 8.687 0.809 1
1 1480 . 7 1 1 A 112 112 MET HA H 111 5.522 5.500 0.022 1
1 1488 . 7 1 1 A 112 112 MET C C 111 175.676 174.363 1.313 1
1 1489 . 7 1 1 A 112 112 MET CA C 111 54.216 54.472 -0.256 1
1 1490 . 7 1 1 A 112 112 MET CB C 111 36.821 37.122 -0.301 1
1 1493 . 7 1 1 A 112 112 MET N N 111 119.003 123.554 -4.551 1
1 1494 . 7 1 1 A 113 113 VAL H H 112 8.749 9.028 -0.279 1
1 1495 . 7 1 1 A 113 113 VAL HA H 112 5.967 4.862 1.105 1
1 1503 . 7 1 1 A 113 113 VAL C C 112 174.893 175.188 -0.295 1
1 1504 . 7 1 1 A 113 113 VAL CA C 112 58.896 61.123 -2.227 1
1 1505 . 7 1 1 A 113 113 VAL CB C 112 36.149 33.180 2.969 1
1 1508 . 7 1 1 A 113 113 VAL N N 112 119.658 122.530 -2.872 1
1 1509 . 7 1 1 A 114 114 TYR H H 113 8.210 8.595 -0.385 1
1 1510 . 7 1 1 A 114 114 TYR HA H 113 6.141 5.948 0.193 1
1 1517 . 7 1 1 A 114 114 TYR C C 113 173.353 173.789 -0.436 1
1 1518 . 7 1 1 A 114 114 TYR CA C 113 54.161 54.808 -0.647 1
1 1519 . 7 1 1 A 114 114 TYR CB C 113 43.538 42.134 1.404 1
1 1522 . 7 1 1 A 114 114 TYR N N 113 118.947 125.062 -6.115 1
1 1523 . 7 1 1 A 115 115 ALA H H 114 8.483 8.328 0.155 1
1 1524 . 7 1 1 A 115 115 ALA HA H 114 4.762 4.691 0.071 1
1 1528 . 7 1 1 A 115 115 ALA C C 114 176.033 176.644 -0.611 1
1 1529 . 7 1 1 A 115 115 ALA CA C 114 51.223 51.125 0.098 1
1 1530 . 7 1 1 A 115 115 ALA CB C 114 24.521 22.278 2.243 1
1 1531 . 7 1 1 A 115 115 ALA N N 114 119.557 121.361 -1.804 1
1 1532 . 7 1 1 A 116 116 SER H H 115 9.835 8.711 1.124 1
1 1533 . 7 1 1 A 116 116 SER HA H 115 4.497 4.682 -0.185 1
1 1536 . 7 1 1 A 116 116 SER C C 115 172.664 173.758 -1.094 1
1 1537 . 7 1 1 A 116 116 SER CA C 115 58.669 58.187 0.482 1
1 1538 . 7 1 1 A 116 116 SER CB C 115 63.570 62.924 0.646 1
1 1539 . 7 1 1 A 116 116 SER N N 115 114.435 114.527 -0.092 1
1 1540 . 7 1 1 A 117 117 GLN H H 116 7.180 7.617 -0.437 1
1 1541 . 7 1 1 A 117 117 GLN HA H 116 4.460 4.801 -0.341 1
1 1548 . 7 1 1 A 117 117 GLN C C 116 172.901 175.188 -2.287 1
1 1549 . 7 1 1 A 117 117 GLN CA C 116 53.974 54.448 -0.474 1
1 1550 . 7 1 1 A 117 117 GLN CB C 116 32.192 31.964 0.228 1
1 1553 . 7 1 1 A 117 117 GLN N N 116 116.449 117.642 -1.193 1
1 1555 . 7 1 1 A 118 118 GLU H H 117 7.878 8.626 -0.748 1
1 1556 . 7 1 1 A 118 118 GLU HA H 117 3.259 4.406 -1.147 1
1 1561 . 7 1 1 A 118 118 GLU C C 117 175.233 176.722 -1.489 1
1 1562 . 7 1 1 A 118 118 GLU CA C 117 56.890 56.581 0.309 1
1 1563 . 7 1 1 A 118 118 GLU CB C 117 30.325 30.502 -0.177 1
1 1565 . 7 1 1 A 118 118 GLU N N 117 117.687 122.683 -4.996 1
1 1566 . 7 1 1 A 119 119 THR H H 118 6.968 7.390 -0.422 1
1 1567 . 7 1 1 A 119 119 THR HA H 118 4.082 4.445 -0.363 1
1 1572 . 7 1 1 A 119 119 THR C C 118 173.134 174.574 -1.440 1
1 1573 . 7 1 1 A 119 119 THR CA C 118 60.123 59.715 0.408 1
1 1574 . 7 1 1 A 119 119 THR CB C 118 70.147 68.618 1.529 1
1 1576 . 7 1 1 A 119 119 THR N N 118 109.548 108.606 0.942 1
1 1577 . 7 1 1 A 120 120 PHE H H 119 8.138 7.763 0.375 1
1 1578 . 7 1 1 A 120 120 PHE HA H 119 4.436 4.410 0.026 1
1 1586 . 7 1 1 A 120 120 PHE C C 119 174.902 177.023 -2.121 1
1 1587 . 7 1 1 A 120 120 PHE CA C 119 56.750 58.028 -1.278 1
1 1588 . 7 1 1 A 120 120 PHE CB C 119 39.411 39.395 0.016 1
1 1592 . 7 1 1 A 120 120 PHE N N 119 121.777 121.308 0.469 1
1 1607 . 7 2 2 B 2 2 SER H H 332 8.471 7.708 0.763 1
1 1608 . 7 2 2 B 2 2 SER HA H 332 4.484 4.640 -0.156 1
1 1611 . 7 2 2 B 2 2 SER C C 332 174.962 175.230 -0.268 1
1 1612 . 7 2 2 B 2 2 SER CA C 332 88.436 57.101 31.335 1
1 1613 . 7 2 2 B 2 2 SER CB C 332 93.927 66.153 27.774 1
1 1614 . 7 2 2 B 2 2 SER N N 332 147.261 113.343 33.918 1
1 1615 . 7 2 2 B 3 3 GLY H H 333 8.601 8.558 0.043 1
1 1616 . 7 2 2 B 3 3 GLY HA2 H 333 4.022 3.884 0.138 1
1 1617 . 7 2 2 B 3 3 GLY HA3 H 333 4.022 3.892 0.130 1
1 1618 . 7 2 2 B 3 3 GLY C C 333 174.774 175.515 -0.741 1
1 1619 . 7 2 2 B 3 3 GLY CA C 333 75.465 46.689 28.776 1
1 1620 . 7 2 2 B 3 3 GLY N N 333 141.077 109.415 31.662 1
1 1621 . 7 2 2 B 4 4 GLY H H 334 8.372 8.233 0.139 1
1 1622 . 7 2 2 B 4 4 GLY HA2 H 334 3.980 3.906 0.074 1
1 1623 . 7 2 2 B 4 4 GLY HA3 H 334 3.980 3.912 0.068 1
1 1624 . 7 2 2 B 4 4 GLY C C 334 174.758 174.917 -0.159 1
1 1625 . 7 2 2 B 4 4 GLY CA C 334 75.674 46.903 28.771 1
1 1626 . 7 2 2 B 4 4 GLY N N 334 138.894 107.435 31.459 1
1 1627 . 7 2 2 B 5 5 ASP H H 335 8.429 7.882 0.547 1
1 1628 . 7 2 2 B 5 5 ASP HA H 335 4.610 5.003 -0.393 1
1 1631 . 7 2 2 B 5 5 ASP CA C 335 85.066 53.384 31.682 1
1 1632 . 7 2 2 B 5 5 ASP CB C 335 71.191 40.410 30.781 1
1 1633 . 7 2 2 B 5 5 ASP N N 335 149.637 118.441 31.196 1
1 1634 . 7 2 2 B 6 6 ASP H H 336 8.244 8.256 -0.012 1
1 1635 . 7 2 2 B 6 6 ASP HA H 336 4.559 4.466 0.093 1
1 1638 . 7 2 2 B 6 6 ASP C C 336 175.432 175.685 -0.253 1
1 1639 . 7 2 2 B 6 6 ASP CA C 336 84.708 55.438 29.270 1
1 1640 . 7 2 2 B 6 6 ASP CB C 336 71.552 40.289 31.263 1
1 1641 . 7 2 2 B 6 6 ASP N N 336 148.885 120.028 28.857 1
1 1642 . 7 2 2 B 7 7 ASP H H 337 7.803 7.778 0.025 1
1 1643 . 7 2 2 B 7 7 ASP HA H 337 4.655 5.040 -0.385 1
1 1646 . 7 2 2 B 7 7 ASP C C 337 175.362 174.908 0.454 1
1 1647 . 7 2 2 B 7 7 ASP CA C 337 83.670 53.116 30.554 1
1 1648 . 7 2 2 B 7 7 ASP CB C 337 71.933 44.156 27.777 1
1 1649 . 7 2 2 B 7 7 ASP N N 337 149.563 116.079 33.484 1
1 1650 . 7 2 2 B 8 8 TRP H H 338 8.472 8.610 -0.138 1
1 1651 . 7 2 2 B 8 8 TRP HA H 338 4.174 4.847 -0.673 1
1 1660 . 7 2 2 B 8 8 TRP C C 338 175.959 176.111 -0.152 1
1 1661 . 7 2 2 B 8 8 TRP CA C 338 87.020 57.478 29.542 1
1 1662 . 7 2 2 B 8 8 TRP CB C 338 61.223 30.034 31.189 1
1 1668 . 7 2 2 B 8 8 TRP N N 338 150.172 123.015 27.157 1
1 1670 . 7 2 2 B 9 9 THR H H 339 7.994 8.877 -0.883 1
1 1671 . 7 2 2 B 9 9 THR HA H 339 4.533 4.411 0.122 1
1 1676 . 7 2 2 B 9 9 THR C C 339 174.035 173.908 0.127 1
1 1677 . 7 2 2 B 9 9 THR CA C 339 92.659 61.421 31.238 1
1 1678 . 7 2 2 B 9 9 THR CB C 339 99.436 70.598 28.838 1
1 1680 . 7 2 2 B 9 9 THR N N 339 149.503 114.709 34.794 1
1 1681 . 7 2 2 B 10 10 HIS H H 340 9.463 8.102 1.361 1
1 1682 . 7 2 2 B 10 10 HIS HA H 340 4.677 5.149 -0.472 1
1 1687 . 7 2 2 B 10 10 HIS C C 340 175.606 174.022 1.584 1
1 1688 . 7 2 2 B 10 10 HIS CA C 340 87.024 54.746 32.278 1
1 1689 . 7 2 2 B 10 10 HIS CB C 340 61.368 31.660 29.708 1
1 1692 . 7 2 2 B 10 10 HIS N N 340 159.135 123.165 35.970 1
1 1693 . 7 2 2 B 11 11 LEU H H 341 8.398 9.133 -0.735 1
1 1694 . 7 2 2 B 11 11 LEU HA H 341 4.848 4.723 0.125 1
1 1704 . 7 2 2 B 11 11 LEU C C 341 175.919 175.864 0.055 1
1 1705 . 7 2 2 B 11 11 LEU CA C 341 83.684 54.065 29.619 1
1 1706 . 7 2 2 B 11 11 LEU CB C 341 73.601 41.147 32.454 1
1 1710 . 7 2 2 B 11 11 LEU N N 341 153.300 126.307 26.993 1
1 1711 . 7 2 2 B 12 12 SER H H 342 8.382 8.963 -0.581 1
1 1712 . 7 2 2 B 12 12 SER HA H 342 4.652 4.759 -0.107 1
1 1715 . 7 2 2 B 12 12 SER C C 342 174.263 174.847 -0.584 1
1 1716 . 7 2 2 B 12 12 SER CA C 342 86.841 58.477 28.364 1
1 1717 . 7 2 2 B 12 12 SER CB C 342 95.113 63.813 31.300 1
1 1718 . 7 2 2 B 12 12 SER N N 342 144.018 121.867 22.151 1
1 1719 . 7 2 2 B 13 13 SER H H 343 8.937 9.060 -0.123 1
1 1720 . 7 2 2 B 13 13 SER HA H 343 4.291 4.452 -0.161 1
1 1723 . 7 2 2 B 13 13 SER C C 343 174.652 175.184 -0.532 1
1 1724 . 7 2 2 B 13 13 SER CA C 343 89.546 59.510 30.036 1
1 1725 . 7 2 2 B 13 13 SER CB C 343 93.470 63.557 29.913 1
1 1726 . 7 2 2 B 13 13 SER N N 343 148.575 120.564 28.011 1
1 1727 . 7 2 2 B 14 14 LYS H H 344 8.250 8.289 -0.039 1
1 1728 . 7 2 2 B 14 14 LYS HA H 344 4.319 4.225 0.094 1
1 1737 . 7 2 2 B 14 14 LYS C C 344 176.699 177.748 -1.049 1
1 1738 . 7 2 2 B 14 14 LYS CA C 344 86.716 58.301 28.415 1
1 1739 . 7 2 2 B 14 14 LYS CB C 344 62.831 33.497 29.334 1
1 1743 . 7 2 2 B 14 14 LYS N N 344 151.908 119.413 32.495 1
1 1744 . 7 2 2 B 15 15 GLU H H 345 8.256 7.779 0.477 1
1 1745 . 7 2 2 B 15 15 GLU HA H 345 4.240 4.374 -0.134 1
1 1750 . 7 2 2 B 15 15 GLU C C 345 176.152 176.264 -0.112 1
1 1751 . 7 2 2 B 15 15 GLU CA C 345 87.152 56.878 30.274 1
1 1752 . 7 2 2 B 15 15 GLU CB C 345 60.176 30.004 30.172 1
1 1754 . 7 2 2 B 15 15 GLU N N 345 150.679 118.319 32.360 1
1 1755 . 7 2 2 B 16 16 VAL H H 346 7.762 7.293 0.469 1
1 1756 . 7 2 2 B 16 16 VAL HA H 346 4.161 4.281 -0.120 1
1 1764 . 7 2 2 B 16 16 VAL C C 346 174.646 175.964 -1.318 1
1 1765 . 7 2 2 B 16 16 VAL CA C 346 91.707 60.568 31.139 1
1 1766 . 7 2 2 B 16 16 VAL CB C 346 63.107 33.545 29.562 1
1 1769 . 7 2 2 B 16 16 VAL N N 346 146.718 115.507 31.211 1
1 9 . 8 1 1 A 2 2 MET H H 1 8.414 8.106 0.308 1
1 10 . 8 1 1 A 2 2 MET HA H 1 4.826 4.176 0.650 1
1 18 . 8 1 1 A 2 2 MET CA C 1 53.382 55.706 -2.324 1
1 19 . 8 1 1 A 2 2 MET CB C 1 32.478 31.497 0.981 1
1 22 . 8 1 1 A 2 2 MET N N 1 122.882 117.318 5.564 1
1 23 . 8 1 1 A 3 3 PRO HA H 2 4.425 4.708 -0.283 1
1 30 . 8 1 1 A 3 3 PRO C C 2 176.847 175.012 1.835 1
1 31 . 8 1 1 A 3 3 PRO CA C 2 63.386 62.468 0.918 1
1 32 . 8 1 1 A 3 3 PRO CB C 2 32.077 29.719 2.358 1
1 35 . 8 1 1 A 4 4 SER H H 3 8.347 8.390 -0.043 1
1 36 . 8 1 1 A 4 4 SER HA H 3 4.391 4.856 -0.465 1
1 39 . 8 1 1 A 4 4 SER C C 3 174.643 172.324 2.319 1
1 40 . 8 1 1 A 4 4 SER CA C 3 58.336 56.545 1.791 1
1 41 . 8 1 1 A 4 4 SER CB C 3 63.798 64.330 -0.532 1
1 42 . 8 1 1 A 4 4 SER N N 3 115.234 118.938 -3.704 1
1 43 . 8 1 1 A 5 5 GLU H H 4 8.472 8.761 -0.289 1
1 44 . 8 1 1 A 5 5 GLU HA H 4 4.297 4.988 -0.691 1
1 49 . 8 1 1 A 5 5 GLU C C 4 176.352 175.167 1.185 1
1 50 . 8 1 1 A 5 5 GLU CA C 4 56.572 54.467 2.105 1
1 51 . 8 1 1 A 5 5 GLU CB C 4 30.285 33.615 -3.330 1
1 53 . 8 1 1 A 5 5 GLU N N 4 123.045 119.381 3.664 1
1 54 . 8 1 1 A 6 6 LYS H H 5 8.214 8.238 -0.024 1
1 55 . 8 1 1 A 6 6 LYS HA H 5 4.500 4.382 0.118 1
1 64 . 8 1 1 A 6 6 LYS C C 5 177.243 175.914 1.329 1
1 65 . 8 1 1 A 6 6 LYS CA C 5 55.943 56.402 -0.459 1
1 66 . 8 1 1 A 6 6 LYS CB C 5 34.621 33.477 1.144 1
1 70 . 8 1 1 A 6 6 LYS N N 5 121.467 122.224 -0.757 1
1 71 . 8 1 1 A 7 7 THR H H 6 8.431 8.193 0.238 1
1 72 . 8 1 1 A 7 7 THR HA H 6 4.383 4.822 -0.439 1
1 77 . 8 1 1 A 7 7 THR C C 6 175.360 175.563 -0.203 1
1 78 . 8 1 1 A 7 7 THR CA C 6 61.124 58.931 2.193 1
1 79 . 8 1 1 A 7 7 THR CB C 6 69.863 71.258 -1.395 1
1 81 . 8 1 1 A 7 7 THR N N 6 114.691 110.874 3.817 1
1 82 . 8 1 1 A 8 8 PHE H H 7 10.194 8.849 1.345 1
1 83 . 8 1 1 A 8 8 PHE HA H 7 3.904 4.199 -0.295 1
1 88 . 8 1 1 A 8 8 PHE C C 7 177.000 177.028 -0.028 1
1 89 . 8 1 1 A 8 8 PHE CA C 7 63.388 60.757 2.631 1
1 90 . 8 1 1 A 8 8 PHE CB C 7 39.586 38.160 1.426 1
1 92 . 8 1 1 A 8 8 PHE N N 7 124.861 121.342 3.519 1
1 93 . 8 1 1 A 9 9 LYS H H 8 8.707 7.605 1.102 1
1 94 . 8 1 1 A 9 9 LYS HA H 8 3.761 4.078 -0.317 1
1 103 . 8 1 1 A 9 9 LYS C C 8 177.496 178.822 -1.326 1
1 104 . 8 1 1 A 9 9 LYS CA C 8 59.945 59.179 0.766 1
1 105 . 8 1 1 A 9 9 LYS CB C 8 33.870 31.843 2.027 1
1 109 . 8 1 1 A 9 9 LYS N N 8 114.189 119.805 -5.616 1
1 110 . 8 1 1 A 10 10 GLN H H 9 7.284 7.877 -0.593 1
1 111 . 8 1 1 A 10 10 GLN HA H 9 4.113 4.128 -0.015 1
1 118 . 8 1 1 A 10 10 GLN C C 9 177.416 178.127 -0.711 1
1 119 . 8 1 1 A 10 10 GLN CA C 9 56.743 58.060 -1.317 1
1 120 . 8 1 1 A 10 10 GLN CB C 9 30.002 28.984 1.018 1
1 123 . 8 1 1 A 10 10 GLN N N 9 112.843 118.902 -6.059 1
1 125 . 8 1 1 A 11 11 ARG H H 10 7.889 8.157 -0.268 1
1 126 . 8 1 1 A 11 11 ARG HA H 10 4.255 3.979 0.276 1
1 133 . 8 1 1 A 11 11 ARG C C 10 175.059 176.563 -1.504 1
1 134 . 8 1 1 A 11 11 ARG CA C 10 57.018 59.473 -2.455 1
1 135 . 8 1 1 A 11 11 ARG CB C 10 31.628 30.451 1.177 1
1 138 . 8 1 1 A 11 11 ARG N N 10 117.567 121.091 -3.524 1
1 139 . 8 1 1 A 12 12 ARG H H 11 7.443 7.890 -0.447 1
1 140 . 8 1 1 A 12 12 ARG HA H 11 4.493 4.489 0.004 1
1 147 . 8 1 1 A 12 12 ARG CA C 11 54.172 56.712 -2.540 1
1 148 . 8 1 1 A 12 12 ARG CB C 11 32.857 30.989 1.868 1
1 151 . 8 1 1 A 12 12 ARG N N 11 122.786 120.072 2.714 1
1 152 . 8 1 1 A 13 13 SER HA H 12 4.403 4.503 -0.100 1
1 155 . 8 1 1 A 13 13 SER C C 12 174.222 175.682 -1.460 1
1 156 . 8 1 1 A 13 13 SER CA C 12 58.274 59.945 -1.671 1
1 157 . 8 1 1 A 13 13 SER CB C 12 64.821 63.469 1.352 1
1 158 . 8 1 1 A 14 14 PHE H H 13 9.239 9.326 -0.087 1
1 159 . 8 1 1 A 14 14 PHE HA H 13 4.035 4.160 -0.125 1
1 165 . 8 1 1 A 14 14 PHE C C 13 176.023 177.196 -1.173 1
1 166 . 8 1 1 A 14 14 PHE CA C 13 62.790 62.509 0.281 1
1 167 . 8 1 1 A 14 14 PHE CB C 13 39.580 39.417 0.163 1
1 169 . 8 1 1 A 14 14 PHE N N 13 123.729 125.238 -1.509 1
1 170 . 8 1 1 A 15 15 GLU H H 14 9.093 8.681 0.412 1
1 171 . 8 1 1 A 15 15 GLU HA H 14 3.813 4.217 -0.404 1
1 176 . 8 1 1 A 15 15 GLU C C 14 179.549 178.815 0.734 1
1 177 . 8 1 1 A 15 15 GLU CA C 14 60.444 58.659 1.785 1
1 178 . 8 1 1 A 15 15 GLU CB C 14 28.804 29.301 -0.497 1
1 180 . 8 1 1 A 15 15 GLU N N 14 115.336 117.359 -2.023 1
1 181 . 8 1 1 A 16 16 GLN H H 15 7.752 8.127 -0.375 1
1 182 . 8 1 1 A 16 16 GLN HA H 15 4.044 4.110 -0.066 1
1 189 . 8 1 1 A 16 16 GLN C C 15 177.931 178.111 -0.180 1
1 190 . 8 1 1 A 16 16 GLN CA C 15 58.486 58.703 -0.217 1
1 191 . 8 1 1 A 16 16 GLN CB C 15 29.393 28.794 0.599 1
1 194 . 8 1 1 A 16 16 GLN N N 15 119.145 120.526 -1.381 1
1 196 . 8 1 1 A 17 17 ARG H H 16 8.577 7.904 0.673 1
1 197 . 8 1 1 A 17 17 ARG HA H 16 4.280 4.244 0.036 1
1 202 . 8 1 1 A 17 17 ARG C C 16 177.128 178.783 -1.655 1
1 203 . 8 1 1 A 17 17 ARG CA C 16 61.442 59.628 1.814 1
1 204 . 8 1 1 A 17 17 ARG N N 16 121.288 120.117 1.171 1
1 205 . 8 1 1 A 18 18 VAL H H 17 8.329 8.204 0.125 1
1 206 . 8 1 1 A 18 18 VAL HA H 17 3.938 3.943 -0.005 1
1 214 . 8 1 1 A 18 18 VAL C C 17 179.744 177.137 2.607 1
1 215 . 8 1 1 A 18 18 VAL CA C 17 65.441 64.419 1.022 1
1 216 . 8 1 1 A 18 18 VAL CB C 17 32.080 31.238 0.842 1
1 219 . 8 1 1 A 18 18 VAL N N 17 116.752 119.203 -2.451 1
1 220 . 8 1 1 A 19 19 GLU H H 18 7.445 7.910 -0.465 1
1 221 . 8 1 1 A 19 19 GLU HA H 18 4.270 4.100 0.170 1
1 226 . 8 1 1 A 19 19 GLU C C 18 177.625 178.253 -0.628 1
1 227 . 8 1 1 A 19 19 GLU CA C 18 58.637 59.000 -0.363 1
1 228 . 8 1 1 A 19 19 GLU CB C 18 29.398 29.489 -0.091 1
1 230 . 8 1 1 A 19 19 GLU N N 18 120.323 121.047 -0.724 1
1 231 . 8 1 1 A 20 20 ASP H H 19 8.690 8.205 0.485 1
1 232 . 8 1 1 A 20 20 ASP HA H 19 4.514 4.433 0.081 1
1 235 . 8 1 1 A 20 20 ASP C C 19 179.877 177.971 1.906 1
1 236 . 8 1 1 A 20 20 ASP CA C 19 57.224 56.806 0.418 1
1 237 . 8 1 1 A 20 20 ASP CB C 19 41.487 41.187 0.300 1
1 238 . 8 1 1 A 20 20 ASP N N 19 120.313 120.005 0.308 1
1 239 . 8 1 1 A 21 21 VAL H H 20 7.731 7.790 -0.059 1
1 240 . 8 1 1 A 21 21 VAL HA H 20 3.394 3.409 -0.015 1
1 248 . 8 1 1 A 21 21 VAL C C 20 176.989 177.434 -0.445 1
1 249 . 8 1 1 A 21 21 VAL CA C 20 65.989 65.387 0.602 1
1 250 . 8 1 1 A 21 21 VAL CB C 20 31.291 31.027 0.264 1
1 253 . 8 1 1 A 21 21 VAL N N 20 119.119 117.905 1.214 1
1 254 . 8 1 1 A 22 22 ARG H H 21 8.313 7.641 0.672 1
1 255 . 8 1 1 A 22 22 ARG HA H 21 3.825 3.934 -0.109 1
1 263 . 8 1 1 A 22 22 ARG C C 21 180.178 178.302 1.876 1
1 264 . 8 1 1 A 22 22 ARG CA C 21 59.821 59.236 0.585 1
1 265 . 8 1 1 A 22 22 ARG CB C 21 30.164 29.887 0.277 1
1 269 . 8 1 1 A 22 22 ARG N N 21 120.772 121.832 -1.060 1
1 271 . 8 1 1 A 23 23 LEU H H 22 8.306 7.729 0.577 1
1 272 . 8 1 1 A 23 23 LEU HA H 22 4.076 3.974 0.102 1
1 282 . 8 1 1 A 23 23 LEU C C 22 180.221 178.979 1.242 1
1 283 . 8 1 1 A 23 23 LEU CA C 22 57.541 57.910 -0.369 1
1 284 . 8 1 1 A 23 23 LEU CB C 22 42.300 41.915 0.385 1
1 288 . 8 1 1 A 23 23 LEU N N 22 116.413 119.263 -2.850 1
1 289 . 8 1 1 A 24 24 ILE H H 23 7.864 8.088 -0.224 1
1 290 . 8 1 1 A 24 24 ILE HA H 23 4.090 3.785 0.305 1
1 300 . 8 1 1 A 24 24 ILE C C 23 177.922 178.193 -0.271 1
1 301 . 8 1 1 A 24 24 ILE CA C 23 60.190 64.054 -3.864 1
1 302 . 8 1 1 A 24 24 ILE CB C 23 38.072 37.194 0.878 1
1 306 . 8 1 1 A 24 24 ILE N N 23 121.259 118.453 2.806 1
1 307 . 8 1 1 A 25 25 ARG H H 24 8.339 8.388 -0.049 1
1 308 . 8 1 1 A 25 25 ARG HA H 24 3.973 4.019 -0.046 1
1 316 . 8 1 1 A 25 25 ARG C C 24 178.479 177.922 0.557 1
1 317 . 8 1 1 A 25 25 ARG CA C 24 57.337 58.984 -1.647 1
1 318 . 8 1 1 A 25 25 ARG CB C 24 28.663 29.917 -1.254 1
1 322 . 8 1 1 A 25 25 ARG N N 24 121.816 120.618 1.198 1
1 324 . 8 1 1 A 26 26 GLU H H 25 7.133 8.241 -1.108 1
1 325 . 8 1 1 A 26 26 GLU HA H 25 4.052 4.343 -0.291 1
1 330 . 8 1 1 A 26 26 GLU C C 25 178.158 178.213 -0.055 1
1 331 . 8 1 1 A 26 26 GLU CA C 25 58.367 57.841 0.526 1
1 332 . 8 1 1 A 26 26 GLU CB C 25 29.903 30.460 -0.557 1
1 334 . 8 1 1 A 26 26 GLU N N 25 116.794 117.271 -0.477 1
1 335 . 8 1 1 A 27 27 GLN H H 26 7.283 8.333 -1.050 1
1 336 . 8 1 1 A 27 27 GLN HA H 26 3.888 4.284 -0.396 1
1 343 . 8 1 1 A 27 27 GLN C C 26 176.088 176.009 0.079 1
1 344 . 8 1 1 A 27 27 GLN CA C 26 57.676 57.594 0.082 1
1 345 . 8 1 1 A 27 27 GLN CB C 26 30.382 29.940 0.442 1
1 348 . 8 1 1 A 27 27 GLN N N 26 116.373 117.646 -1.273 1
1 350 . 8 1 1 A 28 28 HIS H H 27 8.223 8.613 -0.390 1
1 351 . 8 1 1 A 28 28 HIS HA H 27 4.941 5.060 -0.119 1
1 356 . 8 1 1 A 28 28 HIS CA C 27 53.278 53.156 0.122 1
1 357 . 8 1 1 A 28 28 HIS CB C 27 30.933 29.830 1.103 1
1 360 . 8 1 1 A 28 28 HIS N N 27 115.408 116.126 -0.718 1
1 361 . 8 1 1 A 29 29 PRO HA H 28 4.562 4.337 0.225 1
1 368 . 8 1 1 A 29 29 PRO C C 28 178.046 177.663 0.383 1
1 369 . 8 1 1 A 29 29 PRO CA C 28 64.821 64.609 0.212 1
1 370 . 8 1 1 A 29 29 PRO CB C 28 32.447 32.049 0.398 1
1 373 . 8 1 1 A 30 30 THR H H 29 7.820 7.749 0.071 1
1 374 . 8 1 1 A 30 30 THR HA H 29 4.583 4.371 0.212 1
1 379 . 8 1 1 A 30 30 THR C C 29 172.723 173.405 -0.682 1
1 380 . 8 1 1 A 30 30 THR CA C 29 60.826 61.516 -0.690 1
1 381 . 8 1 1 A 30 30 THR CB C 29 68.641 68.766 -0.125 1
1 383 . 8 1 1 A 30 30 THR N N 29 106.682 107.879 -1.197 1
1 384 . 8 1 1 A 31 31 LYS H H 30 7.453 7.521 -0.068 1
1 385 . 8 1 1 A 31 31 LYS HA H 30 4.850 4.864 -0.014 1
1 394 . 8 1 1 A 31 31 LYS C C 30 174.296 174.635 -0.339 1
1 395 . 8 1 1 A 31 31 LYS CA C 30 53.944 54.811 -0.867 1
1 396 . 8 1 1 A 31 31 LYS CB C 30 36.098 37.812 -1.714 1
1 400 . 8 1 1 A 31 31 LYS N N 30 117.809 120.536 -2.727 1
1 401 . 8 1 1 A 32 32 ILE H H 31 9.265 9.503 -0.238 1
1 402 . 8 1 1 A 32 32 ILE HA H 31 4.106 4.148 -0.042 1
1 412 . 8 1 1 A 32 32 ILE CA C 31 54.606 57.468 -2.862 1
1 413 . 8 1 1 A 32 32 ILE CB C 31 38.448 39.097 -0.649 1
1 417 . 8 1 1 A 32 32 ILE N N 31 122.497 122.083 0.414 1
1 418 . 8 1 1 A 33 33 PRO HA H 32 5.252 4.866 0.386 1
1 425 . 8 1 1 A 33 33 PRO C C 32 174.652 176.716 -2.064 1
1 426 . 8 1 1 A 33 33 PRO CA C 32 61.704 62.451 -0.747 1
1 427 . 8 1 1 A 33 33 PRO CB C 32 31.873 31.636 0.237 1
1 430 . 8 1 1 A 34 34 VAL H H 33 9.359 8.149 1.210 1
1 431 . 8 1 1 A 34 34 VAL HA H 33 5.298 5.122 0.176 1
1 439 . 8 1 1 A 34 34 VAL C C 33 173.633 174.593 -0.960 1
1 440 . 8 1 1 A 34 34 VAL CA C 33 59.830 59.468 0.362 1
1 441 . 8 1 1 A 34 34 VAL CB C 33 36.154 36.151 0.003 1
1 444 . 8 1 1 A 34 34 VAL N N 33 124.496 116.591 7.905 1
1 445 . 8 1 1 A 35 35 ILE H H 34 8.667 9.286 -0.619 1
1 446 . 8 1 1 A 35 35 ILE HA H 34 4.867 4.995 -0.128 1
1 456 . 8 1 1 A 35 35 ILE C C 34 175.770 174.865 0.905 1
1 457 . 8 1 1 A 35 35 ILE CA C 34 56.320 60.322 -4.002 1
1 458 . 8 1 1 A 35 35 ILE CB C 34 36.909 39.209 -2.300 1
1 462 . 8 1 1 A 35 35 ILE N N 34 127.447 122.202 5.245 1
1 463 . 8 1 1 A 36 36 ILE H H 35 8.422 9.053 -0.631 1
1 464 . 8 1 1 A 36 36 ILE HA H 35 4.890 5.158 -0.268 1
1 474 . 8 1 1 A 36 36 ILE C C 35 175.098 175.972 -0.874 1
1 475 . 8 1 1 A 36 36 ILE CA C 35 60.806 60.518 0.288 1
1 476 . 8 1 1 A 36 36 ILE CB C 35 39.357 38.600 0.757 1
1 480 . 8 1 1 A 36 36 ILE N N 35 124.267 128.785 -4.518 1
1 481 . 8 1 1 A 37 37 GLU H H 36 8.335 8.795 -0.460 1
1 482 . 8 1 1 A 37 37 GLU HA H 36 4.820 5.064 -0.244 1
1 487 . 8 1 1 A 37 37 GLU C C 36 173.502 175.375 -1.873 1
1 488 . 8 1 1 A 37 37 GLU CA C 36 54.214 54.295 -0.081 1
1 489 . 8 1 1 A 37 37 GLU CB C 36 35.547 33.943 1.604 1
1 491 . 8 1 1 A 37 37 GLU N N 36 123.296 126.227 -2.931 1
1 492 . 8 1 1 A 38 38 ARG H H 37 8.891 8.188 0.703 1
1 493 . 8 1 1 A 38 38 ARG HA H 37 2.755 3.217 -0.462 1
1 501 . 8 1 1 A 38 38 ARG C C 37 176.165 175.358 0.807 1
1 502 . 8 1 1 A 38 38 ARG CA C 37 56.235 55.403 0.832 1
1 503 . 8 1 1 A 38 38 ARG CB C 37 31.328 30.738 0.590 1
1 507 . 8 1 1 A 38 38 ARG N N 37 123.143 121.512 1.631 1
1 509 . 8 1 1 A 39 39 TYR H H 38 8.681 8.138 0.543 1
1 510 . 8 1 1 A 39 39 TYR HA H 38 4.331 4.440 -0.109 1
1 517 . 8 1 1 A 39 39 TYR C C 38 177.064 175.357 1.707 1
1 518 . 8 1 1 A 39 39 TYR CA C 38 57.769 58.961 -1.192 1
1 519 . 8 1 1 A 39 39 TYR CB C 38 39.552 38.906 0.646 1
1 522 . 8 1 1 A 39 39 TYR N N 38 128.699 122.719 5.980 1
1 523 . 8 1 1 A 40 40 LYS H H 39 8.454 7.927 0.527 1
1 524 . 8 1 1 A 40 40 LYS HA H 39 3.841 3.935 -0.094 1
1 533 . 8 1 1 A 40 40 LYS C C 39 176.290 176.707 -0.417 1
1 534 . 8 1 1 A 40 40 LYS CA C 39 58.772 56.688 2.084 1
1 535 . 8 1 1 A 40 40 LYS CB C 39 31.738 31.390 0.348 1
1 539 . 8 1 1 A 40 40 LYS N N 39 130.022 123.337 6.685 1
1 540 . 8 1 1 A 41 41 GLY H H 40 5.457 8.765 -3.308 1
1 541 . 8 1 1 A 41 41 GLY HA2 H 40 3.306 4.041 -0.735 1
1 542 . 8 1 1 A 41 41 GLY HA3 H 40 3.999 4.141 -0.142 1
1 543 . 8 1 1 A 41 41 GLY C C 40 173.426 174.413 -0.987 1
1 544 . 8 1 1 A 41 41 GLY CA C 40 44.673 45.252 -0.579 1
1 545 . 8 1 1 A 41 41 GLY N N 40 104.628 113.165 -8.537 1
1 546 . 8 1 1 A 42 42 GLU H H 41 7.440 8.567 -1.127 1
1 547 . 8 1 1 A 42 42 GLU HA H 41 4.278 4.486 -0.208 1
1 552 . 8 1 1 A 42 42 GLU C C 41 176.306 176.567 -0.261 1
1 553 . 8 1 1 A 42 42 GLU CA C 41 56.358 55.849 0.509 1
1 554 . 8 1 1 A 42 42 GLU CB C 41 31.014 29.639 1.375 1
1 556 . 8 1 1 A 42 42 GLU N N 41 122.648 121.041 1.607 1
1 557 . 8 1 1 A 43 43 LYS H H 42 8.912 8.486 0.426 1
1 558 . 8 1 1 A 43 43 LYS HA H 42 4.680 4.632 0.048 1
1 567 . 8 1 1 A 43 43 LYS C C 42 177.063 178.744 -1.681 1
1 568 . 8 1 1 A 43 43 LYS CA C 42 55.652 56.765 -1.113 1
1 569 . 8 1 1 A 43 43 LYS CB C 42 34.871 34.058 0.813 1
1 573 . 8 1 1 A 43 43 LYS N N 42 123.569 123.160 0.409 1
1 574 . 8 1 1 A 44 44 GLN H H 43 8.446 8.061 0.385 1
1 575 . 8 1 1 A 44 44 GLN HA H 43 4.545 4.082 0.463 1
1 582 . 8 1 1 A 44 44 GLN C C 43 177.152 177.021 0.131 1
1 583 . 8 1 1 A 44 44 GLN CA C 43 57.561 58.594 -1.033 1
1 584 . 8 1 1 A 44 44 GLN CB C 43 30.671 28.870 1.801 1
1 587 . 8 1 1 A 44 44 GLN N N 43 118.990 118.709 0.281 1
1 589 . 8 1 1 A 45 45 LEU H H 44 9.043 8.115 0.928 1
1 590 . 8 1 1 A 45 45 LEU HA H 44 4.716 4.490 0.226 1
1 600 . 8 1 1 A 45 45 LEU CA C 44 53.078 53.889 -0.811 1
1 601 . 8 1 1 A 45 45 LEU CB C 44 43.614 41.465 2.149 1
1 605 . 8 1 1 A 45 45 LEU N N 44 120.375 120.577 -0.202 1
1 606 . 8 1 1 A 46 46 PRO HA H 45 4.723 4.650 0.073 1
1 613 . 8 1 1 A 46 46 PRO C C 45 175.883 176.021 -0.138 1
1 614 . 8 1 1 A 46 46 PRO CA C 45 62.005 62.242 -0.237 1
1 615 . 8 1 1 A 46 46 PRO CB C 45 32.609 32.754 -0.145 1
1 618 . 8 1 1 A 47 47 VAL H H 46 8.437 8.509 -0.072 1
1 619 . 8 1 1 A 47 47 VAL HA H 46 3.914 4.364 -0.450 1
1 627 . 8 1 1 A 47 47 VAL C C 46 175.367 176.160 -0.793 1
1 628 . 8 1 1 A 47 47 VAL CA C 46 62.700 61.825 0.875 1
1 629 . 8 1 1 A 47 47 VAL CB C 46 32.927 31.253 1.674 1
1 632 . 8 1 1 A 47 47 VAL N N 46 118.440 121.199 -2.759 1
1 633 . 8 1 1 A 48 48 LEU H H 47 7.863 8.327 -0.464 1
1 634 . 8 1 1 A 48 48 LEU HA H 47 4.384 4.096 0.288 1
1 644 . 8 1 1 A 48 48 LEU C C 47 176.088 178.130 -2.042 1
1 645 . 8 1 1 A 48 48 LEU CA C 47 54.851 55.952 -1.101 1
1 646 . 8 1 1 A 48 48 LEU CB C 47 43.841 44.129 -0.288 1
1 650 . 8 1 1 A 48 48 LEU N N 47 129.127 129.732 -0.605 1
1 651 . 8 1 1 A 49 49 ASP H H 48 8.699 8.619 0.080 1
1 652 . 8 1 1 A 49 49 ASP HA H 48 4.293 4.313 -0.020 1
1 655 . 8 1 1 A 49 49 ASP C C 48 175.121 176.234 -1.113 1
1 656 . 8 1 1 A 49 49 ASP CA C 48 55.717 57.283 -1.566 1
1 657 . 8 1 1 A 49 49 ASP CB C 48 40.260 40.796 -0.536 1
1 658 . 8 1 1 A 49 49 ASP N N 48 121.389 124.754 -3.365 1
1 659 . 8 1 1 A 50 50 LYS H H 49 7.251 7.520 -0.269 1
1 660 . 8 1 1 A 50 50 LYS HA H 49 4.540 4.459 0.081 1
1 669 . 8 1 1 A 50 50 LYS C C 49 174.664 175.327 -0.663 1
1 670 . 8 1 1 A 50 50 LYS CA C 49 53.211 55.215 -2.004 1
1 671 . 8 1 1 A 50 50 LYS CB C 49 35.514 32.807 2.707 1
1 675 . 8 1 1 A 50 50 LYS N N 49 118.260 114.235 4.025 1
1 676 . 8 1 1 A 51 51 THR H H 50 8.162 8.109 0.053 1
1 677 . 8 1 1 A 51 51 THR HA H 50 4.685 5.022 -0.337 1
1 682 . 8 1 1 A 51 51 THR C C 50 171.631 174.541 -2.910 1
1 683 . 8 1 1 A 51 51 THR CA C 50 63.581 62.946 0.635 1
1 684 . 8 1 1 A 51 51 THR CB C 50 71.587 70.293 1.294 1
1 686 . 8 1 1 A 51 51 THR N N 50 112.535 112.264 0.271 1
1 687 . 8 1 1 A 52 52 LYS H H 51 6.971 7.442 -0.471 1
1 688 . 8 1 1 A 52 52 LYS HA H 51 4.443 4.739 -0.296 1
1 697 . 8 1 1 A 52 52 LYS C C 51 175.417 175.654 -0.237 1
1 698 . 8 1 1 A 52 52 LYS CA C 51 55.209 55.103 0.106 1
1 699 . 8 1 1 A 52 52 LYS CB C 51 33.309 33.886 -0.577 1
1 703 . 8 1 1 A 52 52 LYS N N 51 120.227 119.563 0.664 1
1 704 . 8 1 1 A 53 53 PHE H H 52 9.688 8.873 0.815 1
1 705 . 8 1 1 A 53 53 PHE HA H 52 5.675 5.022 0.653 1
1 712 . 8 1 1 A 53 53 PHE C C 52 174.348 174.713 -0.365 1
1 713 . 8 1 1 A 53 53 PHE CA C 52 56.625 56.610 0.015 1
1 714 . 8 1 1 A 53 53 PHE CB C 52 43.109 42.992 0.117 1
1 716 . 8 1 1 A 53 53 PHE N N 52 124.646 121.802 2.844 1
1 717 . 8 1 1 A 54 54 LEU H H 53 8.470 8.999 -0.529 1
1 718 . 8 1 1 A 54 54 LEU HA H 53 5.044 4.926 0.118 1
1 728 . 8 1 1 A 54 54 LEU C C 53 176.144 175.854 0.290 1
1 729 . 8 1 1 A 54 54 LEU CA C 53 52.954 53.566 -0.612 1
1 730 . 8 1 1 A 54 54 LEU CB C 53 45.081 42.105 2.976 1
1 734 . 8 1 1 A 54 54 LEU N N 53 119.430 124.242 -4.812 1
1 735 . 8 1 1 A 55 55 VAL H H 54 8.802 8.545 0.257 1
1 736 . 8 1 1 A 55 55 VAL HA H 54 4.640 4.545 0.095 1
1 744 . 8 1 1 A 55 55 VAL CA C 54 58.549 59.142 -0.593 1
1 745 . 8 1 1 A 55 55 VAL CB C 54 35.342 32.082 3.260 1
1 748 . 8 1 1 A 55 55 VAL N N 54 123.841 126.029 -2.188 1
1 749 . 8 1 1 A 56 56 PRO HA H 55 4.439 4.783 -0.344 1
1 756 . 8 1 1 A 56 56 PRO C C 55 176.666 177.221 -0.555 1
1 757 . 8 1 1 A 56 56 PRO CA C 55 64.256 62.477 1.779 1
1 758 . 8 1 1 A 56 56 PRO CB C 55 32.783 31.759 1.024 1
1 761 . 8 1 1 A 57 57 ASP H H 56 8.412 8.965 -0.553 1
1 762 . 8 1 1 A 57 57 ASP HA H 56 3.848 4.488 -0.640 1
1 765 . 8 1 1 A 57 57 ASP C C 56 175.417 176.731 -1.314 1
1 766 . 8 1 1 A 57 57 ASP CA C 56 56.616 55.293 1.323 1
1 767 . 8 1 1 A 57 57 ASP CB C 56 40.410 40.703 -0.293 1
1 768 . 8 1 1 A 57 57 ASP N N 56 120.415 125.173 -4.758 1
1 769 . 8 1 1 A 58 58 HIS H H 57 7.373 7.737 -0.364 1
1 770 . 8 1 1 A 58 58 HIS HA H 57 4.770 4.622 0.148 1
1 775 . 8 1 1 A 58 58 HIS C C 57 176.594 174.499 2.095 1
1 776 . 8 1 1 A 58 58 HIS CA C 57 55.584 55.882 -0.298 1
1 777 . 8 1 1 A 58 58 HIS CB C 57 30.628 30.516 0.112 1
1 780 . 8 1 1 A 58 58 HIS N N 57 113.439 112.490 0.949 1
1 781 . 8 1 1 A 59 59 VAL H H 58 7.249 6.784 0.465 1
1 782 . 8 1 1 A 59 59 VAL HA H 58 3.903 4.563 -0.660 1
1 790 . 8 1 1 A 59 59 VAL C C 58 175.014 174.984 0.030 1
1 791 . 8 1 1 A 59 59 VAL CA C 58 62.726 59.571 3.155 1
1 792 . 8 1 1 A 59 59 VAL CB C 58 32.190 34.541 -2.351 1
1 795 . 8 1 1 A 59 59 VAL N N 58 122.597 115.344 7.253 1
1 796 . 8 1 1 A 60 60 ASN H H 59 8.677 8.621 0.056 1
1 797 . 8 1 1 A 60 60 ASN HA H 59 5.187 5.094 0.093 1
1 802 . 8 1 1 A 60 60 ASN C C 59 176.477 176.575 -0.098 1
1 803 . 8 1 1 A 60 60 ASN CA C 59 51.181 51.650 -0.469 1
1 804 . 8 1 1 A 60 60 ASN CB C 59 39.947 40.855 -0.908 1
1 806 . 8 1 1 A 60 60 ASN N N 59 122.962 118.585 4.377 1
1 808 . 8 1 1 A 61 61 MET H H 60 8.038 8.369 -0.331 1
1 809 . 8 1 1 A 61 61 MET HA H 60 4.426 4.243 0.183 1
1 817 . 8 1 1 A 61 61 MET C C 60 177.996 178.573 -0.577 1
1 818 . 8 1 1 A 61 61 MET CA C 60 57.118 58.041 -0.923 1
1 819 . 8 1 1 A 61 61 MET CB C 60 29.998 32.297 -2.299 1
1 822 . 8 1 1 A 61 61 MET N N 60 116.814 121.134 -4.320 1
1 823 . 8 1 1 A 62 62 SER H H 61 8.401 8.179 0.222 1
1 824 . 8 1 1 A 62 62 SER HA H 61 4.132 4.121 0.011 1
1 827 . 8 1 1 A 62 62 SER C C 61 177.255 177.195 0.060 1
1 828 . 8 1 1 A 62 62 SER CA C 61 61.559 61.417 0.142 1
1 829 . 8 1 1 A 62 62 SER CB C 61 62.430 63.076 -0.646 1
1 830 . 8 1 1 A 62 62 SER N N 61 114.109 115.281 -1.172 1
1 831 . 8 1 1 A 63 63 GLU H H 62 8.014 8.164 -0.150 1
1 832 . 8 1 1 A 63 63 GLU HA H 62 4.016 3.971 0.045 1
1 837 . 8 1 1 A 63 63 GLU C C 62 178.327 178.754 -0.427 1
1 838 . 8 1 1 A 63 63 GLU CA C 62 58.787 59.351 -0.564 1
1 839 . 8 1 1 A 63 63 GLU CB C 62 29.814 29.323 0.491 1
1 841 . 8 1 1 A 63 63 GLU N N 62 122.806 121.056 1.750 1
1 842 . 8 1 1 A 64 64 LEU H H 63 8.254 7.664 0.590 1
1 843 . 8 1 1 A 64 64 LEU HA H 63 3.932 3.976 -0.044 1
1 853 . 8 1 1 A 64 64 LEU C C 63 178.029 178.434 -0.405 1
1 854 . 8 1 1 A 64 64 LEU CA C 63 57.986 58.166 -0.180 1
1 855 . 8 1 1 A 64 64 LEU CB C 63 41.377 41.799 -0.422 1
1 859 . 8 1 1 A 64 64 LEU N N 63 120.526 121.906 -1.380 1
1 860 . 8 1 1 A 65 65 ILE H H 64 8.415 8.521 -0.106 1
1 861 . 8 1 1 A 65 65 ILE HA H 64 3.377 3.693 -0.316 1
1 871 . 8 1 1 A 65 65 ILE C C 64 177.078 177.674 -0.596 1
1 872 . 8 1 1 A 65 65 ILE CA C 64 66.699 65.654 1.045 1
1 873 . 8 1 1 A 65 65 ILE CB C 64 38.128 38.102 0.026 1
1 877 . 8 1 1 A 65 65 ILE N N 64 118.349 119.624 -1.275 1
1 878 . 8 1 1 A 66 66 LYS H H 65 7.366 7.762 -0.396 1
1 879 . 8 1 1 A 66 66 LYS HA H 65 3.696 4.089 -0.393 1
1 888 . 8 1 1 A 66 66 LYS C C 65 179.260 179.247 0.013 1
1 889 . 8 1 1 A 66 66 LYS CA C 65 60.593 59.757 0.836 1
1 890 . 8 1 1 A 66 66 LYS CB C 65 32.421 32.655 -0.234 1
1 894 . 8 1 1 A 66 66 LYS N N 65 118.334 119.243 -0.909 1
1 895 . 8 1 1 A 67 67 ILE H H 66 8.179 8.354 -0.175 1
1 896 . 8 1 1 A 67 67 ILE HA H 66 3.546 3.690 -0.144 1
1 906 . 8 1 1 A 67 67 ILE C C 66 178.784 178.848 -0.064 1
1 907 . 8 1 1 A 67 67 ILE CA C 66 65.488 64.780 0.708 1
1 908 . 8 1 1 A 67 67 ILE CB C 66 38.593 37.030 1.563 1
1 912 . 8 1 1 A 67 67 ILE N N 66 119.791 120.362 -0.571 1
1 913 . 8 1 1 A 68 68 ILE H H 67 8.279 8.259 0.020 1
1 914 . 8 1 1 A 68 68 ILE HA H 67 3.391 3.427 -0.036 1
1 924 . 8 1 1 A 68 68 ILE C C 67 177.403 177.622 -0.219 1
1 925 . 8 1 1 A 68 68 ILE CA C 67 63.144 64.670 -1.526 1
1 926 . 8 1 1 A 68 68 ILE CB C 67 35.269 37.553 -2.284 1
1 930 . 8 1 1 A 68 68 ILE N N 67 120.267 122.098 -1.831 1
1 931 . 8 1 1 A 69 69 ARG H H 68 8.454 8.233 0.221 1
1 932 . 8 1 1 A 69 69 ARG HA H 68 2.966 3.275 -0.309 1
1 939 . 8 1 1 A 69 69 ARG C C 68 178.385 177.904 0.481 1
1 940 . 8 1 1 A 69 69 ARG CA C 68 60.642 58.391 2.251 1
1 941 . 8 1 1 A 69 69 ARG CB C 68 30.442 30.034 0.408 1
1 944 . 8 1 1 A 69 69 ARG N N 68 118.881 120.121 -1.240 1
1 945 . 8 1 1 A 70 70 ARG H H 69 7.492 7.850 -0.358 1
1 946 . 8 1 1 A 70 70 ARG HA H 69 4.164 4.039 0.125 1
1 954 . 8 1 1 A 70 70 ARG C C 69 180.253 178.739 1.514 1
1 955 . 8 1 1 A 70 70 ARG CA C 69 58.510 59.392 -0.882 1
1 956 . 8 1 1 A 70 70 ARG CB C 69 29.587 29.919 -0.332 1
1 960 . 8 1 1 A 70 70 ARG N N 69 116.411 119.566 -3.155 1
1 962 . 8 1 1 A 71 71 ARG H H 70 8.086 8.034 0.052 1
1 963 . 8 1 1 A 71 71 ARG HA H 70 4.025 4.054 -0.029 1
1 970 . 8 1 1 A 71 71 ARG C C 70 178.558 178.609 -0.051 1
1 971 . 8 1 1 A 71 71 ARG CA C 70 59.428 58.804 0.624 1
1 972 . 8 1 1 A 71 71 ARG CB C 70 30.235 29.840 0.395 1
1 975 . 8 1 1 A 71 71 ARG N N 70 122.779 119.573 3.206 1
1 976 . 8 1 1 A 72 72 LEU H H 71 7.755 7.576 0.179 1
1 977 . 8 1 1 A 72 72 LEU HA H 71 4.081 4.082 -0.001 1
1 987 . 8 1 1 A 72 72 LEU C C 71 174.852 176.454 -1.602 1
1 988 . 8 1 1 A 72 72 LEU CA C 71 55.060 55.193 -0.133 1
1 989 . 8 1 1 A 72 72 LEU CB C 71 43.109 41.613 1.496 1
1 993 . 8 1 1 A 72 72 LEU N N 71 116.551 117.998 -1.447 1
1 994 . 8 1 1 A 73 73 GLN H H 72 7.740 7.863 -0.123 1
1 995 . 8 1 1 A 73 73 GLN HA H 72 3.853 3.940 -0.087 1
1 1002 . 8 1 1 A 73 73 GLN C C 72 175.619 174.868 0.751 1
1 1003 . 8 1 1 A 73 73 GLN CA C 72 56.273 56.532 -0.259 1
1 1004 . 8 1 1 A 73 73 GLN CB C 72 25.939 26.413 -0.474 1
1 1007 . 8 1 1 A 73 73 GLN N N 72 114.737 117.833 -3.096 1
1 1009 . 8 1 1 A 74 74 LEU H H 73 7.525 7.394 0.131 1
1 1010 . 8 1 1 A 74 74 LEU HA H 73 4.242 4.428 -0.186 1
1 1020 . 8 1 1 A 74 74 LEU C C 73 178.611 175.864 2.747 1
1 1021 . 8 1 1 A 74 74 LEU CA C 73 54.382 54.296 0.086 1
1 1022 . 8 1 1 A 74 74 LEU CB C 73 41.995 42.093 -0.098 1
1 1026 . 8 1 1 A 74 74 LEU N N 73 114.861 120.470 -5.609 1
1 1027 . 8 1 1 A 75 75 ASN H H 74 8.970 8.638 0.332 1
1 1028 . 8 1 1 A 75 75 ASN HA H 74 4.694 5.037 -0.343 1
1 1033 . 8 1 1 A 75 75 ASN C C 74 176.527 176.147 0.380 1
1 1034 . 8 1 1 A 75 75 ASN CA C 74 52.686 51.492 1.194 1
1 1035 . 8 1 1 A 75 75 ASN CB C 74 39.583 41.266 -1.683 1
1 1037 . 8 1 1 A 75 75 ASN N N 74 121.274 116.958 4.316 1
1 1039 . 8 1 1 A 76 76 ALA H H 75 8.697 8.754 -0.057 1
1 1040 . 8 1 1 A 76 76 ALA HA H 75 3.966 4.037 -0.071 1
1 1044 . 8 1 1 A 76 76 ALA C C 75 178.002 179.264 -1.262 1
1 1045 . 8 1 1 A 76 76 ALA CA C 75 54.797 54.697 0.100 1
1 1046 . 8 1 1 A 76 76 ALA CB C 75 18.669 18.325 0.344 1
1 1047 . 8 1 1 A 76 76 ALA N N 75 123.590 121.885 1.705 1
1 1048 . 8 1 1 A 77 77 ASN H H 76 8.344 8.350 -0.006 1
1 1049 . 8 1 1 A 77 77 ASN HA H 76 4.585 4.566 0.019 1
1 1054 . 8 1 1 A 77 77 ASN C C 76 175.371 175.056 0.315 1
1 1055 . 8 1 1 A 77 77 ASN CA C 76 53.183 55.017 -1.834 1
1 1056 . 8 1 1 A 77 77 ASN CB C 76 38.277 37.507 0.770 1
1 1058 . 8 1 1 A 77 77 ASN N N 76 112.004 112.724 -0.720 1
1 1060 . 8 1 1 A 78 78 GLN H H 77 7.532 7.535 -0.003 1
1 1061 . 8 1 1 A 78 78 GLN HA H 77 4.281 4.666 -0.385 1
1 1068 . 8 1 1 A 78 78 GLN C C 77 175.001 174.725 0.276 1
1 1069 . 8 1 1 A 78 78 GLN CA C 77 55.875 55.014 0.861 1
1 1070 . 8 1 1 A 78 78 GLN CB C 77 30.227 30.090 0.137 1
1 1073 . 8 1 1 A 78 78 GLN N N 77 120.237 119.841 0.396 1
1 1075 . 8 1 1 A 79 79 ALA H H 78 8.732 8.717 0.015 1
1 1076 . 8 1 1 A 79 79 ALA HA H 78 4.183 4.938 -0.755 1
1 1080 . 8 1 1 A 79 79 ALA C C 78 176.367 176.321 0.046 1
1 1081 . 8 1 1 A 79 79 ALA CA C 78 52.798 51.403 1.395 1
1 1082 . 8 1 1 A 79 79 ALA CB C 78 20.051 20.785 -0.734 1
1 1083 . 8 1 1 A 79 79 ALA N N 78 130.399 129.317 1.082 1
1 1084 . 8 1 1 A 80 80 PHE H H 79 7.603 8.439 -0.836 1
1 1085 . 8 1 1 A 80 80 PHE HA H 79 4.449 5.171 -0.722 1
1 1093 . 8 1 1 A 80 80 PHE C C 79 171.709 173.046 -1.337 1
1 1094 . 8 1 1 A 80 80 PHE CA C 79 59.101 56.955 2.146 1
1 1095 . 8 1 1 A 80 80 PHE CB C 79 42.282 42.530 -0.248 1
1 1099 . 8 1 1 A 80 80 PHE N N 79 118.988 122.761 -3.773 1
1 1100 . 8 1 1 A 81 81 PHE H H 80 8.507 9.113 -0.606 1
1 1101 . 8 1 1 A 81 81 PHE HA H 80 4.421 4.429 -0.008 1
1 1109 . 8 1 1 A 81 81 PHE C C 80 172.644 173.804 -1.160 1
1 1110 . 8 1 1 A 81 81 PHE CA C 80 56.711 55.964 0.747 1
1 1111 . 8 1 1 A 81 81 PHE CB C 80 41.880 42.447 -0.567 1
1 1115 . 8 1 1 A 81 81 PHE N N 80 126.042 125.187 0.855 1
1 1116 . 8 1 1 A 82 82 LEU H H 81 8.199 8.550 -0.351 1
1 1117 . 8 1 1 A 82 82 LEU HA H 81 4.883 4.890 -0.007 1
1 1127 . 8 1 1 A 82 82 LEU C C 81 174.440 174.748 -0.308 1
1 1128 . 8 1 1 A 82 82 LEU CA C 81 53.153 54.226 -1.073 1
1 1129 . 8 1 1 A 82 82 LEU CB C 81 45.520 43.084 2.436 1
1 1133 . 8 1 1 A 82 82 LEU N N 81 121.512 125.764 -4.252 1
1 1134 . 8 1 1 A 83 83 LEU H H 82 9.349 10.009 -0.660 1
1 1135 . 8 1 1 A 83 83 LEU HA H 82 4.810 4.823 -0.013 1
1 1145 . 8 1 1 A 83 83 LEU C C 82 177.075 175.765 1.310 1
1 1146 . 8 1 1 A 83 83 LEU CA C 82 54.122 53.858 0.264 1
1 1147 . 8 1 1 A 83 83 LEU CB C 82 43.394 41.598 1.796 1
1 1151 . 8 1 1 A 83 83 LEU N N 82 125.253 129.331 -4.078 1
1 1152 . 8 1 1 A 84 84 VAL H H 83 8.681 9.022 -0.341 1
1 1153 . 8 1 1 A 84 84 VAL HA H 83 4.411 3.884 0.527 1
1 1161 . 8 1 1 A 84 84 VAL C C 83 175.797 176.067 -0.270 1
1 1162 . 8 1 1 A 84 84 VAL CA C 83 61.630 62.573 -0.943 1
1 1163 . 8 1 1 A 84 84 VAL CB C 83 33.647 31.115 2.532 1
1 1166 . 8 1 1 A 84 84 VAL N N 83 123.543 125.876 -2.333 1
1 1167 . 8 1 1 A 85 85 ASN H H 84 9.622 9.020 0.602 1
1 1168 . 8 1 1 A 85 85 ASN HA H 84 4.399 4.598 -0.199 1
1 1173 . 8 1 1 A 85 85 ASN C C 84 175.042 175.174 -0.132 1
1 1174 . 8 1 1 A 85 85 ASN CA C 84 54.610 54.249 0.361 1
1 1175 . 8 1 1 A 85 85 ASN CB C 84 37.927 36.951 0.976 1
1 1177 . 8 1 1 A 85 85 ASN N N 84 125.848 127.105 -1.257 1
1 1179 . 8 1 1 A 86 86 GLY H H 85 8.551 8.345 0.206 1
1 1180 . 8 1 1 A 86 86 GLY HA2 H 85 3.368 3.912 -0.544 1
1 1181 . 8 1 1 A 86 86 GLY HA3 H 85 4.064 3.949 0.115 1
1 1182 . 8 1 1 A 86 86 GLY C C 85 173.524 173.779 -0.255 1
1 1183 . 8 1 1 A 86 86 GLY CA C 85 45.588 45.392 0.196 1
1 1184 . 8 1 1 A 86 86 GLY N N 85 101.093 105.040 -3.947 1
1 1185 . 8 1 1 A 87 87 HIS H H 86 7.906 7.478 0.428 1
1 1186 . 8 1 1 A 87 87 HIS HA H 86 5.003 5.317 -0.314 1
1 1191 . 8 1 1 A 87 87 HIS C C 86 173.910 174.384 -0.474 1
1 1192 . 8 1 1 A 87 87 HIS CA C 86 54.213 53.779 0.434 1
1 1193 . 8 1 1 A 87 87 HIS CB C 86 31.482 33.165 -1.683 1
1 1196 . 8 1 1 A 87 87 HIS N N 86 117.253 115.130 2.123 1
1 1197 . 8 1 1 A 88 88 SER H H 87 8.846 9.025 -0.179 1
1 1198 . 8 1 1 A 88 88 SER HA H 87 4.702 4.470 0.232 1
1 1201 . 8 1 1 A 88 88 SER C C 87 175.739 175.161 0.578 1
1 1202 . 8 1 1 A 88 88 SER CA C 87 58.245 58.224 0.021 1
1 1203 . 8 1 1 A 88 88 SER CB C 87 63.764 64.964 -1.200 1
1 1204 . 8 1 1 A 88 88 SER N N 87 117.469 115.065 2.404 1
1 1205 . 8 1 1 A 89 89 MET H H 88 9.174 8.472 0.702 1
1 1206 . 8 1 1 A 89 89 MET HA H 88 4.820 4.973 -0.153 1
1 1214 . 8 1 1 A 89 89 MET C C 88 176.294 177.144 -0.850 1
1 1215 . 8 1 1 A 89 89 MET CA C 88 54.853 53.978 0.875 1
1 1216 . 8 1 1 A 89 89 MET CB C 88 33.183 32.349 0.834 1
1 1219 . 8 1 1 A 89 89 MET N N 88 125.111 118.152 6.959 1
1 1220 . 8 1 1 A 90 90 VAL H H 89 8.217 7.469 0.748 1
1 1221 . 8 1 1 A 90 90 VAL HA H 89 4.063 3.849 0.214 1
1 1229 . 8 1 1 A 90 90 VAL C C 89 176.249 176.652 -0.403 1
1 1230 . 8 1 1 A 90 90 VAL CA C 89 63.377 65.649 -2.272 1
1 1231 . 8 1 1 A 90 90 VAL CB C 89 32.473 32.013 0.460 1
1 1234 . 8 1 1 A 90 90 VAL N N 89 120.477 121.241 -0.764 1
1 1235 . 8 1 1 A 91 91 SER H H 90 8.356 7.782 0.574 1
1 1236 . 8 1 1 A 91 91 SER HA H 90 4.614 4.664 -0.050 1
1 1239 . 8 1 1 A 91 91 SER C C 90 175.841 174.164 1.677 1
1 1240 . 8 1 1 A 91 91 SER CA C 90 57.860 57.183 0.677 1
1 1241 . 8 1 1 A 91 91 SER CB C 90 63.398 63.538 -0.140 1
1 1242 . 8 1 1 A 91 91 SER N N 90 116.676 114.643 2.033 1
1 1243 . 8 1 1 A 92 92 VAL H H 91 8.158 7.769 0.389 1
1 1244 . 8 1 1 A 92 92 VAL HA H 91 4.245 3.990 0.255 1
1 1252 . 8 1 1 A 92 92 VAL C C 91 175.856 175.938 -0.082 1
1 1253 . 8 1 1 A 92 92 VAL CA C 91 63.121 63.306 -0.185 1
1 1254 . 8 1 1 A 92 92 VAL CB C 91 31.872 31.726 0.146 1
1 1257 . 8 1 1 A 92 92 VAL N N 91 119.994 122.405 -2.411 1
1 1258 . 8 1 1 A 93 93 SER H H 92 8.368 8.745 -0.377 1
1 1259 . 8 1 1 A 93 93 SER HA H 92 4.581 4.790 -0.209 1
1 1262 . 8 1 1 A 93 93 SER C C 92 174.154 173.866 0.288 1
1 1263 . 8 1 1 A 93 93 SER CA C 92 57.706 57.073 0.633 1
1 1264 . 8 1 1 A 93 93 SER CB C 92 63.126 64.691 -1.565 1
1 1265 . 8 1 1 A 93 93 SER N N 92 116.504 122.688 -6.184 1
1 1266 . 8 1 1 A 94 94 THR H H 93 7.427 7.678 -0.251 1
1 1267 . 8 1 1 A 94 94 THR HA H 93 4.464 4.700 -0.236 1
1 1272 . 8 1 1 A 94 94 THR CA C 93 61.032 59.155 1.877 1
1 1273 . 8 1 1 A 94 94 THR CB C 93 70.505 71.448 -0.943 1
1 1275 . 8 1 1 A 94 94 THR N N 93 119.172 116.994 2.178 1
1 1276 . 8 1 1 A 95 95 PRO HA H 94 4.426 4.691 -0.265 1
1 1283 . 8 1 1 A 95 95 PRO C C 94 178.692 178.000 0.692 1
1 1284 . 8 1 1 A 95 95 PRO CA C 94 62.921 62.688 0.233 1
1 1285 . 8 1 1 A 95 95 PRO CB C 94 32.774 32.419 0.355 1
1 1288 . 8 1 1 A 96 96 ILE H H 95 9.324 8.983 0.341 1
1 1289 . 8 1 1 A 96 96 ILE HA H 95 3.956 3.987 -0.031 1
1 1299 . 8 1 1 A 96 96 ILE C C 95 176.415 176.933 -0.518 1
1 1300 . 8 1 1 A 96 96 ILE CA C 95 63.880 63.502 0.378 1
1 1301 . 8 1 1 A 96 96 ILE CB C 95 38.055 37.933 0.122 1
1 1305 . 8 1 1 A 96 96 ILE N N 95 123.862 125.532 -1.670 1
1 1306 . 8 1 1 A 97 97 SER H H 96 8.211 8.336 -0.125 1
1 1307 . 8 1 1 A 97 97 SER HA H 96 3.978 4.102 -0.124 1
1 1310 . 8 1 1 A 97 97 SER C C 96 176.494 177.322 -0.828 1
1 1311 . 8 1 1 A 97 97 SER CA C 96 61.576 61.452 0.124 1
1 1312 . 8 1 1 A 97 97 SER CB C 96 61.262 62.339 -1.077 1
1 1313 . 8 1 1 A 97 97 SER N N 96 116.529 117.454 -0.925 1
1 1314 . 8 1 1 A 98 98 GLU H H 97 7.329 8.023 -0.694 1
1 1315 . 8 1 1 A 98 98 GLU HA H 97 4.290 4.240 0.050 1
1 1320 . 8 1 1 A 98 98 GLU C C 97 179.288 178.856 0.432 1
1 1321 . 8 1 1 A 98 98 GLU CA C 97 58.705 59.238 -0.533 1
1 1322 . 8 1 1 A 98 98 GLU CB C 97 29.791 30.164 -0.373 1
1 1324 . 8 1 1 A 98 98 GLU N N 97 122.955 122.777 0.178 1
1 1325 . 8 1 1 A 99 99 VAL H H 98 7.386 8.451 -1.065 1
1 1326 . 8 1 1 A 99 99 VAL HA H 98 3.815 3.801 0.014 1
1 1334 . 8 1 1 A 99 99 VAL C C 98 177.662 178.424 -0.762 1
1 1335 . 8 1 1 A 99 99 VAL CA C 98 65.774 65.934 -0.160 1
1 1336 . 8 1 1 A 99 99 VAL CB C 98 32.047 31.716 0.331 1
1 1339 . 8 1 1 A 99 99 VAL N N 98 120.888 120.840 0.048 1
1 1340 . 8 1 1 A 100 100 TYR H H 99 8.984 7.807 1.177 1
1 1341 . 8 1 1 A 100 100 TYR HA H 99 4.013 4.151 -0.138 1
1 1348 . 8 1 1 A 100 100 TYR C C 99 176.355 178.274 -1.919 1
1 1349 . 8 1 1 A 100 100 TYR CA C 99 62.118 61.562 0.556 1
1 1350 . 8 1 1 A 100 100 TYR CB C 99 38.921 39.033 -0.112 1
1 1353 . 8 1 1 A 100 100 TYR N N 99 118.874 121.116 -2.242 1
1 1354 . 8 1 1 A 101 101 GLU H H 100 7.433 8.423 -0.990 1
1 1355 . 8 1 1 A 101 101 GLU HA H 100 3.833 4.087 -0.254 1
1 1360 . 8 1 1 A 101 101 GLU C C 100 177.674 176.885 0.789 1
1 1361 . 8 1 1 A 101 101 GLU CA C 100 58.895 58.088 0.807 1
1 1362 . 8 1 1 A 101 101 GLU CB C 100 29.577 28.496 1.081 1
1 1364 . 8 1 1 A 101 101 GLU N N 100 114.383 118.238 -3.855 1
1 1365 . 8 1 1 A 102 102 SER H H 101 7.423 8.354 -0.931 1
1 1366 . 8 1 1 A 102 102 SER HA H 101 4.552 4.546 0.006 1
1 1369 . 8 1 1 A 102 102 SER C C 101 176.554 174.723 1.831 1
1 1370 . 8 1 1 A 102 102 SER CA C 101 60.200 58.990 1.210 1
1 1371 . 8 1 1 A 102 102 SER CB C 101 64.828 64.275 0.553 1
1 1372 . 8 1 1 A 102 102 SER N N 101 108.722 115.115 -6.393 1
1 1373 . 8 1 1 A 103 103 GLU H H 102 8.488 8.068 0.420 1
1 1374 . 8 1 1 A 103 103 GLU HA H 102 4.752 4.507 0.245 1
1 1379 . 8 1 1 A 103 103 GLU C C 102 176.653 176.404 0.249 1
1 1380 . 8 1 1 A 103 103 GLU CA C 102 55.464 57.379 -1.915 1
1 1381 . 8 1 1 A 103 103 GLU CB C 102 30.611 31.724 -1.113 1
1 1383 . 8 1 1 A 103 103 GLU N N 102 116.116 118.414 -2.298 1
1 1384 . 8 1 1 A 104 104 ARG H H 103 7.511 7.685 -0.174 1
1 1385 . 8 1 1 A 104 104 ARG HA H 103 4.241 4.223 0.018 1
1 1392 . 8 1 1 A 104 104 ARG C C 103 174.634 175.494 -0.860 1
1 1393 . 8 1 1 A 104 104 ARG CA C 103 56.926 56.193 0.733 1
1 1394 . 8 1 1 A 104 104 ARG CB C 103 29.713 29.959 -0.246 1
1 1397 . 8 1 1 A 104 104 ARG N N 103 117.180 118.523 -1.343 1
1 1398 . 8 1 1 A 105 105 ASP H H 104 9.069 9.052 0.017 1
1 1399 . 8 1 1 A 105 105 ASP HA H 104 4.774 4.968 -0.194 1
1 1402 . 8 1 1 A 105 105 ASP C C 104 177.460 177.904 -0.444 1
1 1403 . 8 1 1 A 105 105 ASP CA C 104 53.852 53.345 0.507 1
1 1404 . 8 1 1 A 105 105 ASP CB C 104 43.424 41.890 1.534 1
1 1405 . 8 1 1 A 105 105 ASP N N 104 123.349 122.378 0.971 1
1 1406 . 8 1 1 A 106 106 GLU H H 105 8.982 8.980 0.002 1
1 1407 . 8 1 1 A 106 106 GLU HA H 105 4.199 4.001 0.198 1
1 1412 . 8 1 1 A 106 106 GLU C C 105 177.398 177.961 -0.563 1
1 1413 . 8 1 1 A 106 106 GLU CA C 105 59.413 59.613 -0.200 1
1 1414 . 8 1 1 A 106 106 GLU CB C 105 29.983 29.417 0.566 1
1 1416 . 8 1 1 A 106 106 GLU N N 105 125.197 121.444 3.753 1
1 1417 . 8 1 1 A 107 107 ASP H H 106 9.873 7.943 1.930 1
1 1418 . 8 1 1 A 107 107 ASP HA H 106 4.211 4.048 0.163 1
1 1421 . 8 1 1 A 107 107 ASP C C 106 175.775 176.792 -1.017 1
1 1422 . 8 1 1 A 107 107 ASP CA C 106 54.698 54.828 -0.130 1
1 1423 . 8 1 1 A 107 107 ASP CB C 106 40.187 41.183 -0.996 1
1 1424 . 8 1 1 A 107 107 ASP N N 106 118.717 116.701 2.016 1
1 1425 . 8 1 1 A 108 108 GLY H H 107 7.971 8.802 -0.831 1
1 1426 . 8 1 1 A 108 108 GLY HA2 H 107 3.431 3.901 -0.470 1
1 1427 . 8 1 1 A 108 108 GLY HA3 H 107 4.526 3.919 0.607 1
1 1428 . 8 1 1 A 108 108 GLY C C 107 175.138 173.911 1.227 1
1 1429 . 8 1 1 A 108 108 GLY CA C 107 45.029 46.004 -0.975 1
1 1430 . 8 1 1 A 108 108 GLY N N 107 105.017 108.745 -3.728 1
1 1431 . 8 1 1 A 109 109 PHE H H 108 9.799 7.732 2.067 1
1 1432 . 8 1 1 A 109 109 PHE HA H 108 4.607 4.853 -0.246 1
1 1440 . 8 1 1 A 109 109 PHE C C 108 175.171 174.199 0.972 1
1 1441 . 8 1 1 A 109 109 PHE CA C 108 60.222 57.276 2.946 1
1 1442 . 8 1 1 A 109 109 PHE CB C 108 40.433 42.595 -2.162 1
1 1446 . 8 1 1 A 109 109 PHE N N 108 123.309 118.614 4.695 1
1 1447 . 8 1 1 A 110 110 LEU H H 109 8.061 8.716 -0.655 1
1 1448 . 8 1 1 A 110 110 LEU HA H 109 5.022 4.288 0.734 1
1 1458 . 8 1 1 A 110 110 LEU C C 109 174.033 175.467 -1.434 1
1 1459 . 8 1 1 A 110 110 LEU CA C 109 53.539 54.709 -1.170 1
1 1460 . 8 1 1 A 110 110 LEU CB C 109 45.284 42.546 2.738 1
1 1464 . 8 1 1 A 110 110 LEU N N 109 119.999 125.995 -5.996 1
1 1465 . 8 1 1 A 111 111 TYR H H 110 9.363 9.126 0.237 1
1 1466 . 8 1 1 A 111 111 TYR HA H 110 4.906 4.990 -0.084 1
1 1473 . 8 1 1 A 111 111 TYR C C 110 176.538 174.592 1.946 1
1 1474 . 8 1 1 A 111 111 TYR CA C 110 59.335 56.524 2.811 1
1 1475 . 8 1 1 A 111 111 TYR CB C 110 39.485 40.440 -0.955 1
1 1478 . 8 1 1 A 111 111 TYR N N 110 126.322 121.147 5.175 1
1 1479 . 8 1 1 A 112 112 MET H H 111 9.496 8.877 0.619 1
1 1480 . 8 1 1 A 112 112 MET HA H 111 5.522 5.279 0.243 1
1 1488 . 8 1 1 A 112 112 MET C C 111 175.676 174.220 1.456 1
1 1489 . 8 1 1 A 112 112 MET CA C 111 54.216 54.540 -0.324 1
1 1490 . 8 1 1 A 112 112 MET CB C 111 36.821 37.015 -0.194 1
1 1493 . 8 1 1 A 112 112 MET N N 111 119.003 123.749 -4.746 1
1 1494 . 8 1 1 A 113 113 VAL H H 112 8.749 8.776 -0.027 1
1 1495 . 8 1 1 A 113 113 VAL HA H 112 5.967 4.784 1.183 1
1 1503 . 8 1 1 A 113 113 VAL C C 112 174.893 175.105 -0.212 1
1 1504 . 8 1 1 A 113 113 VAL CA C 112 58.896 61.242 -2.346 1
1 1505 . 8 1 1 A 113 113 VAL CB C 112 36.149 33.614 2.535 1
1 1508 . 8 1 1 A 113 113 VAL N N 112 119.658 122.280 -2.622 1
1 1509 . 8 1 1 A 114 114 TYR H H 113 8.210 8.842 -0.632 1
1 1510 . 8 1 1 A 114 114 TYR HA H 113 6.141 6.001 0.140 1
1 1517 . 8 1 1 A 114 114 TYR C C 113 173.353 173.908 -0.555 1
1 1518 . 8 1 1 A 114 114 TYR CA C 113 54.161 55.160 -0.999 1
1 1519 . 8 1 1 A 114 114 TYR CB C 113 43.538 42.362 1.176 1
1 1522 . 8 1 1 A 114 114 TYR N N 113 118.947 123.414 -4.467 1
1 1523 . 8 1 1 A 115 115 ALA H H 114 8.483 8.809 -0.326 1
1 1524 . 8 1 1 A 115 115 ALA HA H 114 4.762 4.798 -0.036 1
1 1528 . 8 1 1 A 115 115 ALA C C 114 176.033 176.650 -0.617 1
1 1529 . 8 1 1 A 115 115 ALA CA C 114 51.223 51.206 0.017 1
1 1530 . 8 1 1 A 115 115 ALA CB C 114 24.521 22.783 1.738 1
1 1531 . 8 1 1 A 115 115 ALA N N 114 119.557 121.906 -2.349 1
1 1532 . 8 1 1 A 116 116 SER H H 115 9.835 8.550 1.285 1
1 1533 . 8 1 1 A 116 116 SER HA H 115 4.497 4.854 -0.357 1
1 1536 . 8 1 1 A 116 116 SER C C 115 172.664 173.328 -0.664 1
1 1537 . 8 1 1 A 116 116 SER CA C 115 58.669 58.304 0.365 1
1 1538 . 8 1 1 A 116 116 SER CB C 115 63.570 63.258 0.312 1
1 1539 . 8 1 1 A 116 116 SER N N 115 114.435 112.948 1.487 1
1 1540 . 8 1 1 A 117 117 GLN H H 116 7.180 7.668 -0.488 1
1 1541 . 8 1 1 A 117 117 GLN HA H 116 4.460 5.005 -0.545 1
1 1548 . 8 1 1 A 117 117 GLN C C 116 172.901 175.520 -2.619 1
1 1549 . 8 1 1 A 117 117 GLN CA C 116 53.974 55.213 -1.239 1
1 1550 . 8 1 1 A 117 117 GLN CB C 116 32.192 32.131 0.061 1
1 1553 . 8 1 1 A 117 117 GLN N N 116 116.449 119.637 -3.188 1
1 1555 . 8 1 1 A 118 118 GLU H H 117 7.878 8.723 -0.845 1
1 1556 . 8 1 1 A 118 118 GLU HA H 117 3.259 4.592 -1.333 1
1 1561 . 8 1 1 A 118 118 GLU C C 117 175.233 177.043 -1.810 1
1 1562 . 8 1 1 A 118 118 GLU CA C 117 56.890 56.407 0.483 1
1 1563 . 8 1 1 A 118 118 GLU CB C 117 30.325 30.550 -0.225 1
1 1565 . 8 1 1 A 118 118 GLU N N 117 117.687 124.538 -6.851 1
1 1566 . 8 1 1 A 119 119 THR H H 118 6.968 7.675 -0.707 1
1 1567 . 8 1 1 A 119 119 THR HA H 118 4.082 4.495 -0.413 1
1 1572 . 8 1 1 A 119 119 THR C C 118 173.134 175.465 -2.331 1
1 1573 . 8 1 1 A 119 119 THR CA C 118 60.123 61.299 -1.176 1
1 1574 . 8 1 1 A 119 119 THR CB C 118 70.147 69.431 0.716 1
1 1576 . 8 1 1 A 119 119 THR N N 118 109.548 108.197 1.351 1
1 1577 . 8 1 1 A 120 120 PHE H H 119 8.138 8.480 -0.342 1
1 1578 . 8 1 1 A 120 120 PHE HA H 119 4.436 4.279 0.157 1
1 1586 . 8 1 1 A 120 120 PHE C C 119 174.902 177.691 -2.789 1
1 1587 . 8 1 1 A 120 120 PHE CA C 119 56.750 60.535 -3.785 1
1 1588 . 8 1 1 A 120 120 PHE CB C 119 39.411 37.618 1.793 1
1 1592 . 8 1 1 A 120 120 PHE N N 119 121.777 122.175 -0.398 1
1 1607 . 8 2 2 B 2 2 SER H H 332 8.471 8.634 -0.163 1
1 1608 . 8 2 2 B 2 2 SER HA H 332 4.484 5.269 -0.785 1
1 1611 . 8 2 2 B 2 2 SER C C 332 174.962 174.071 0.891 1
1 1612 . 8 2 2 B 2 2 SER CA C 332 88.436 57.019 31.417 1
1 1613 . 8 2 2 B 2 2 SER CB C 332 93.927 64.460 29.467 1
1 1614 . 8 2 2 B 2 2 SER N N 332 147.261 115.288 31.973 1
1 1615 . 8 2 2 B 3 3 GLY H H 333 8.601 8.623 -0.022 1
1 1616 . 8 2 2 B 3 3 GLY HA2 H 333 4.022 4.193 -0.171 1
1 1617 . 8 2 2 B 3 3 GLY HA3 H 333 4.022 4.200 -0.178 1
1 1618 . 8 2 2 B 3 3 GLY C C 333 174.774 175.543 -0.769 1
1 1619 . 8 2 2 B 3 3 GLY CA C 333 75.465 44.435 31.030 1
1 1620 . 8 2 2 B 3 3 GLY N N 333 141.077 113.294 27.783 1
1 1621 . 8 2 2 B 4 4 GLY H H 334 8.372 8.852 -0.480 1
1 1622 . 8 2 2 B 4 4 GLY HA2 H 334 3.980 3.850 0.130 1
1 1623 . 8 2 2 B 4 4 GLY HA3 H 334 3.980 3.852 0.128 1
1 1624 . 8 2 2 B 4 4 GLY C C 334 174.758 174.829 -0.071 1
1 1625 . 8 2 2 B 4 4 GLY CA C 334 75.674 47.210 28.464 1
1 1626 . 8 2 2 B 4 4 GLY N N 334 138.894 109.602 29.292 1
1 1627 . 8 2 2 B 5 5 ASP H H 335 8.429 8.098 0.331 1
1 1628 . 8 2 2 B 5 5 ASP HA H 335 4.610 4.909 -0.299 1
1 1631 . 8 2 2 B 5 5 ASP CA C 335 85.066 53.155 31.911 1
1 1632 . 8 2 2 B 5 5 ASP CB C 335 71.191 38.800 32.391 1
1 1633 . 8 2 2 B 5 5 ASP N N 335 149.637 121.278 28.359 1
1 1634 . 8 2 2 B 6 6 ASP H H 336 8.244 8.510 -0.266 1
1 1635 . 8 2 2 B 6 6 ASP HA H 336 4.559 4.475 0.084 1
1 1638 . 8 2 2 B 6 6 ASP C C 336 175.432 175.341 0.091 1
1 1639 . 8 2 2 B 6 6 ASP CA C 336 84.708 57.133 27.575 1
1 1640 . 8 2 2 B 6 6 ASP CB C 336 71.552 40.652 30.900 1
1 1641 . 8 2 2 B 6 6 ASP N N 336 148.885 122.133 26.752 1
1 1642 . 8 2 2 B 7 7 ASP H H 337 7.803 7.938 -0.135 1
1 1643 . 8 2 2 B 7 7 ASP HA H 337 4.655 5.091 -0.436 1
1 1646 . 8 2 2 B 7 7 ASP C C 337 175.362 175.003 0.359 1
1 1647 . 8 2 2 B 7 7 ASP CA C 337 83.670 52.911 30.759 1
1 1648 . 8 2 2 B 7 7 ASP CB C 337 71.933 45.752 26.181 1
1 1649 . 8 2 2 B 7 7 ASP N N 337 149.563 117.264 32.299 1
1 1650 . 8 2 2 B 8 8 TRP H H 338 8.472 8.705 -0.233 1
1 1651 . 8 2 2 B 8 8 TRP HA H 338 4.174 4.961 -0.787 1
1 1660 . 8 2 2 B 8 8 TRP C C 338 175.959 175.832 0.127 1
1 1661 . 8 2 2 B 8 8 TRP CA C 338 87.020 56.595 30.425 1
1 1662 . 8 2 2 B 8 8 TRP CB C 338 61.223 30.893 30.330 1
1 1668 . 8 2 2 B 8 8 TRP N N 338 150.172 120.796 29.376 1
1 1670 . 8 2 2 B 9 9 THR H H 339 7.994 8.478 -0.484 1
1 1671 . 8 2 2 B 9 9 THR HA H 339 4.533 4.560 -0.027 1
1 1676 . 8 2 2 B 9 9 THR C C 339 174.035 173.467 0.568 1
1 1677 . 8 2 2 B 9 9 THR CA C 339 92.659 61.233 31.426 1
1 1678 . 8 2 2 B 9 9 THR CB C 339 99.436 70.526 28.910 1
1 1680 . 8 2 2 B 9 9 THR N N 339 149.503 115.463 34.040 1
1 1681 . 8 2 2 B 10 10 HIS H H 340 9.463 8.054 1.409 1
1 1682 . 8 2 2 B 10 10 HIS HA H 340 4.677 5.383 -0.706 1
1 1687 . 8 2 2 B 10 10 HIS C C 340 175.606 174.234 1.372 1
1 1688 . 8 2 2 B 10 10 HIS CA C 340 87.024 54.108 32.916 1
1 1689 . 8 2 2 B 10 10 HIS CB C 340 61.368 31.524 29.844 1
1 1692 . 8 2 2 B 10 10 HIS N N 340 159.135 121.093 38.042 1
1 1693 . 8 2 2 B 11 11 LEU H H 341 8.398 9.262 -0.864 1
1 1694 . 8 2 2 B 11 11 LEU HA H 341 4.848 4.942 -0.094 1
1 1704 . 8 2 2 B 11 11 LEU C C 341 175.919 175.619 0.300 1
1 1705 . 8 2 2 B 11 11 LEU CA C 341 83.684 53.686 29.998 1
1 1706 . 8 2 2 B 11 11 LEU CB C 341 73.601 42.492 31.109 1
1 1710 . 8 2 2 B 11 11 LEU N N 341 153.300 125.282 28.018 1
1 1711 . 8 2 2 B 12 12 SER H H 342 8.382 8.809 -0.427 1
1 1712 . 8 2 2 B 12 12 SER HA H 342 4.652 4.799 -0.147 1
1 1715 . 8 2 2 B 12 12 SER C C 342 174.263 175.200 -0.937 1
1 1716 . 8 2 2 B 12 12 SER CA C 342 86.841 57.242 29.599 1
1 1717 . 8 2 2 B 12 12 SER CB C 342 95.113 65.967 29.146 1
1 1718 . 8 2 2 B 12 12 SER N N 342 144.018 122.570 21.448 1
1 1719 . 8 2 2 B 13 13 SER H H 343 8.937 8.761 0.176 1
1 1720 . 8 2 2 B 13 13 SER HA H 343 4.291 4.424 -0.133 1
1 1723 . 8 2 2 B 13 13 SER C C 343 174.652 175.482 -0.830 1
1 1724 . 8 2 2 B 13 13 SER CA C 343 89.546 60.083 29.463 1
1 1725 . 8 2 2 B 13 13 SER CB C 343 93.470 63.669 29.801 1
1 1726 . 8 2 2 B 13 13 SER N N 343 148.575 117.310 31.265 1
1 1727 . 8 2 2 B 14 14 LYS H H 344 8.250 8.521 -0.271 1
1 1728 . 8 2 2 B 14 14 LYS HA H 344 4.319 4.162 0.157 1
1 1737 . 8 2 2 B 14 14 LYS C C 344 176.699 177.554 -0.855 1
1 1738 . 8 2 2 B 14 14 LYS CA C 344 86.716 58.630 28.086 1
1 1739 . 8 2 2 B 14 14 LYS CB C 344 62.831 32.406 30.425 1
1 1743 . 8 2 2 B 14 14 LYS N N 344 151.908 121.575 30.333 1
1 1744 . 8 2 2 B 15 15 GLU H H 345 8.256 7.790 0.466 1
1 1745 . 8 2 2 B 15 15 GLU HA H 345 4.240 4.391 -0.151 1
1 1750 . 8 2 2 B 15 15 GLU C C 345 176.152 176.280 -0.128 1
1 1751 . 8 2 2 B 15 15 GLU CA C 345 87.152 56.786 30.366 1
1 1752 . 8 2 2 B 15 15 GLU CB C 345 60.176 30.420 29.756 1
1 1754 . 8 2 2 B 15 15 GLU N N 345 150.679 118.059 32.620 1
1 1755 . 8 2 2 B 16 16 VAL H H 346 7.762 7.380 0.382 1
1 1756 . 8 2 2 B 16 16 VAL HA H 346 4.161 4.117 0.044 1
1 1764 . 8 2 2 B 16 16 VAL C C 346 174.646 175.571 -0.925 1
1 1765 . 8 2 2 B 16 16 VAL CA C 346 91.707 61.547 30.160 1
1 1766 . 8 2 2 B 16 16 VAL CB C 346 63.107 33.379 29.728 1
1 1769 . 8 2 2 B 16 16 VAL N N 346 146.718 117.817 28.901 1
1 9 . 9 1 1 A 2 2 MET H H 1 8.414 8.644 -0.230 1
1 10 . 9 1 1 A 2 2 MET HA H 1 4.826 5.081 -0.255 1
1 18 . 9 1 1 A 2 2 MET CA C 1 53.382 52.566 0.816 1
1 19 . 9 1 1 A 2 2 MET CB C 1 32.478 33.656 -1.178 1
1 22 . 9 1 1 A 2 2 MET N N 1 122.882 119.945 2.937 1
1 23 . 9 1 1 A 3 3 PRO HA H 2 4.425 4.606 -0.181 1
1 30 . 9 1 1 A 3 3 PRO C C 2 176.847 176.381 0.466 1
1 31 . 9 1 1 A 3 3 PRO CA C 2 63.386 62.245 1.141 1
1 32 . 9 1 1 A 3 3 PRO CB C 2 32.077 32.848 -0.771 1
1 35 . 9 1 1 A 4 4 SER H H 3 8.347 8.450 -0.103 1
1 36 . 9 1 1 A 4 4 SER HA H 3 4.391 4.694 -0.303 1
1 39 . 9 1 1 A 4 4 SER C C 3 174.643 174.209 0.434 1
1 40 . 9 1 1 A 4 4 SER CA C 3 58.336 58.543 -0.207 1
1 41 . 9 1 1 A 4 4 SER CB C 3 63.798 64.453 -0.655 1
1 42 . 9 1 1 A 4 4 SER N N 3 115.234 116.498 -1.264 1
1 43 . 9 1 1 A 5 5 GLU H H 4 8.472 8.320 0.152 1
1 44 . 9 1 1 A 5 5 GLU HA H 4 4.297 4.328 -0.031 1
1 49 . 9 1 1 A 5 5 GLU C C 4 176.352 176.387 -0.035 1
1 50 . 9 1 1 A 5 5 GLU CA C 4 56.572 56.045 0.527 1
1 51 . 9 1 1 A 5 5 GLU CB C 4 30.285 30.791 -0.506 1
1 53 . 9 1 1 A 5 5 GLU N N 4 123.045 122.136 0.909 1
1 54 . 9 1 1 A 6 6 LYS H H 5 8.214 8.412 -0.198 1
1 55 . 9 1 1 A 6 6 LYS HA H 5 4.500 4.336 0.164 1
1 64 . 9 1 1 A 6 6 LYS C C 5 177.243 177.056 0.187 1
1 65 . 9 1 1 A 6 6 LYS CA C 5 55.943 56.634 -0.691 1
1 66 . 9 1 1 A 6 6 LYS CB C 5 34.621 32.857 1.764 1
1 70 . 9 1 1 A 6 6 LYS N N 5 121.467 122.042 -0.575 1
1 71 . 9 1 1 A 7 7 THR H H 6 8.431 8.593 -0.162 1
1 72 . 9 1 1 A 7 7 THR HA H 6 4.383 4.730 -0.347 1
1 77 . 9 1 1 A 7 7 THR C C 6 175.360 176.349 -0.989 1
1 78 . 9 1 1 A 7 7 THR CA C 6 61.124 60.371 0.753 1
1 79 . 9 1 1 A 7 7 THR CB C 6 69.863 70.970 -1.107 1
1 81 . 9 1 1 A 7 7 THR N N 6 114.691 113.216 1.475 1
1 82 . 9 1 1 A 8 8 PHE H H 7 10.194 8.935 1.259 1
1 83 . 9 1 1 A 8 8 PHE HA H 7 3.904 4.231 -0.327 1
1 88 . 9 1 1 A 8 8 PHE C C 7 177.000 177.818 -0.818 1
1 89 . 9 1 1 A 8 8 PHE CA C 7 63.388 61.246 2.142 1
1 90 . 9 1 1 A 8 8 PHE CB C 7 39.586 38.977 0.609 1
1 92 . 9 1 1 A 8 8 PHE N N 7 124.861 123.530 1.331 1
1 93 . 9 1 1 A 9 9 LYS H H 8 8.707 8.225 0.482 1
1 94 . 9 1 1 A 9 9 LYS HA H 8 3.761 4.312 -0.551 1
1 103 . 9 1 1 A 9 9 LYS C C 8 177.496 179.076 -1.580 1
1 104 . 9 1 1 A 9 9 LYS CA C 8 59.945 59.401 0.544 1
1 105 . 9 1 1 A 9 9 LYS CB C 8 33.870 32.279 1.591 1
1 109 . 9 1 1 A 9 9 LYS N N 8 114.189 118.046 -3.857 1
1 110 . 9 1 1 A 10 10 GLN H H 9 7.284 7.965 -0.681 1
1 111 . 9 1 1 A 10 10 GLN HA H 9 4.113 4.087 0.026 1
1 118 . 9 1 1 A 10 10 GLN C C 9 177.416 178.007 -0.591 1
1 119 . 9 1 1 A 10 10 GLN CA C 9 56.743 58.782 -2.039 1
1 120 . 9 1 1 A 10 10 GLN CB C 9 30.002 28.465 1.537 1
1 123 . 9 1 1 A 10 10 GLN N N 9 112.843 119.454 -6.611 1
1 125 . 9 1 1 A 11 11 ARG H H 10 7.889 8.228 -0.339 1
1 126 . 9 1 1 A 11 11 ARG HA H 10 4.255 4.021 0.234 1
1 133 . 9 1 1 A 11 11 ARG C C 10 175.059 176.510 -1.451 1
1 134 . 9 1 1 A 11 11 ARG CA C 10 57.018 59.571 -2.553 1
1 135 . 9 1 1 A 11 11 ARG CB C 10 31.628 30.397 1.231 1
1 138 . 9 1 1 A 11 11 ARG N N 10 117.567 120.759 -3.192 1
1 139 . 9 1 1 A 12 12 ARG H H 11 7.443 7.918 -0.475 1
1 140 . 9 1 1 A 12 12 ARG HA H 11 4.493 4.423 0.070 1
1 147 . 9 1 1 A 12 12 ARG CA C 11 54.172 55.786 -1.614 1
1 148 . 9 1 1 A 12 12 ARG CB C 11 32.857 31.194 1.663 1
1 151 . 9 1 1 A 12 12 ARG N N 11 122.786 119.568 3.218 1
1 152 . 9 1 1 A 13 13 SER HA H 12 4.403 4.599 -0.196 1
1 155 . 9 1 1 A 13 13 SER C C 12 174.222 175.414 -1.192 1
1 156 . 9 1 1 A 13 13 SER CA C 12 58.274 58.463 -0.189 1
1 157 . 9 1 1 A 13 13 SER CB C 12 64.821 63.917 0.904 1
1 158 . 9 1 1 A 14 14 PHE H H 13 9.239 9.260 -0.021 1
1 159 . 9 1 1 A 14 14 PHE HA H 13 4.035 4.115 -0.080 1
1 165 . 9 1 1 A 14 14 PHE C C 13 176.023 177.241 -1.218 1
1 166 . 9 1 1 A 14 14 PHE CA C 13 62.790 62.806 -0.016 1
1 167 . 9 1 1 A 14 14 PHE CB C 13 39.580 39.972 -0.392 1
1 169 . 9 1 1 A 14 14 PHE N N 13 123.729 123.282 0.447 1
1 170 . 9 1 1 A 15 15 GLU H H 14 9.093 8.710 0.383 1
1 171 . 9 1 1 A 15 15 GLU HA H 14 3.813 4.014 -0.201 1
1 176 . 9 1 1 A 15 15 GLU C C 14 179.549 178.694 0.855 1
1 177 . 9 1 1 A 15 15 GLU CA C 14 60.444 59.090 1.354 1
1 178 . 9 1 1 A 15 15 GLU CB C 14 28.804 28.641 0.163 1
1 180 . 9 1 1 A 15 15 GLU N N 14 115.336 118.238 -2.902 1
1 181 . 9 1 1 A 16 16 GLN H H 15 7.752 8.298 -0.546 1
1 182 . 9 1 1 A 16 16 GLN HA H 15 4.044 4.169 -0.125 1
1 189 . 9 1 1 A 16 16 GLN C C 15 177.931 177.673 0.258 1
1 190 . 9 1 1 A 16 16 GLN CA C 15 58.486 58.258 0.228 1
1 191 . 9 1 1 A 16 16 GLN CB C 15 29.393 28.658 0.735 1
1 194 . 9 1 1 A 16 16 GLN N N 15 119.145 120.452 -1.307 1
1 196 . 9 1 1 A 17 17 ARG H H 16 8.577 8.478 0.099 1
1 197 . 9 1 1 A 17 17 ARG HA H 16 4.280 4.272 0.008 1
1 202 . 9 1 1 A 17 17 ARG C C 16 177.128 178.489 -1.361 1
1 203 . 9 1 1 A 17 17 ARG CA C 16 61.442 58.737 2.705 1
1 204 . 9 1 1 A 17 17 ARG N N 16 121.288 119.753 1.535 1
1 205 . 9 1 1 A 18 18 VAL H H 17 8.329 8.169 0.160 1
1 206 . 9 1 1 A 18 18 VAL HA H 17 3.938 3.780 0.158 1
1 214 . 9 1 1 A 18 18 VAL C C 17 179.744 177.936 1.808 1
1 215 . 9 1 1 A 18 18 VAL CA C 17 65.441 65.235 0.206 1
1 216 . 9 1 1 A 18 18 VAL CB C 17 32.080 31.410 0.670 1
1 219 . 9 1 1 A 18 18 VAL N N 17 116.752 118.446 -1.694 1
1 220 . 9 1 1 A 19 19 GLU H H 18 7.445 8.106 -0.661 1
1 221 . 9 1 1 A 19 19 GLU HA H 18 4.270 3.963 0.307 1
1 226 . 9 1 1 A 19 19 GLU C C 18 177.625 177.896 -0.271 1
1 227 . 9 1 1 A 19 19 GLU CA C 18 58.637 59.819 -1.182 1
1 228 . 9 1 1 A 19 19 GLU CB C 18 29.398 28.852 0.546 1
1 230 . 9 1 1 A 19 19 GLU N N 18 120.323 121.162 -0.839 1
1 231 . 9 1 1 A 20 20 ASP H H 19 8.690 8.164 0.526 1
1 232 . 9 1 1 A 20 20 ASP HA H 19 4.514 4.374 0.140 1
1 235 . 9 1 1 A 20 20 ASP C C 19 179.877 178.755 1.122 1
1 236 . 9 1 1 A 20 20 ASP CA C 19 57.224 57.514 -0.290 1
1 237 . 9 1 1 A 20 20 ASP CB C 19 41.487 41.084 0.403 1
1 238 . 9 1 1 A 20 20 ASP N N 19 120.313 120.016 0.297 1
1 239 . 9 1 1 A 21 21 VAL H H 20 7.731 7.546 0.185 1
1 240 . 9 1 1 A 21 21 VAL HA H 20 3.394 3.241 0.153 1
1 248 . 9 1 1 A 21 21 VAL C C 20 176.989 177.741 -0.752 1
1 249 . 9 1 1 A 21 21 VAL CA C 20 65.989 67.058 -1.069 1
1 250 . 9 1 1 A 21 21 VAL CB C 20 31.291 31.120 0.171 1
1 253 . 9 1 1 A 21 21 VAL N N 20 119.119 119.462 -0.343 1
1 254 . 9 1 1 A 22 22 ARG H H 21 8.313 8.125 0.188 1
1 255 . 9 1 1 A 22 22 ARG HA H 21 3.825 3.970 -0.145 1
1 263 . 9 1 1 A 22 22 ARG C C 21 180.178 178.357 1.821 1
1 264 . 9 1 1 A 22 22 ARG CA C 21 59.821 59.263 0.558 1
1 265 . 9 1 1 A 22 22 ARG CB C 21 30.164 29.922 0.242 1
1 269 . 9 1 1 A 22 22 ARG N N 21 120.772 120.112 0.660 1
1 271 . 9 1 1 A 23 23 LEU H H 22 8.306 8.253 0.053 1
1 272 . 9 1 1 A 23 23 LEU HA H 22 4.076 3.979 0.097 1
1 282 . 9 1 1 A 23 23 LEU C C 22 180.221 178.981 1.240 1
1 283 . 9 1 1 A 23 23 LEU CA C 22 57.541 57.938 -0.397 1
1 284 . 9 1 1 A 23 23 LEU CB C 22 42.300 41.562 0.738 1
1 288 . 9 1 1 A 23 23 LEU N N 22 116.413 119.533 -3.120 1
1 289 . 9 1 1 A 24 24 ILE H H 23 7.864 7.835 0.029 1
1 290 . 9 1 1 A 24 24 ILE HA H 23 4.090 3.915 0.175 1
1 300 . 9 1 1 A 24 24 ILE C C 23 177.922 178.519 -0.597 1
1 301 . 9 1 1 A 24 24 ILE CA C 23 60.190 64.365 -4.175 1
1 302 . 9 1 1 A 24 24 ILE CB C 23 38.072 37.552 0.520 1
1 306 . 9 1 1 A 24 24 ILE N N 23 121.259 118.682 2.577 1
1 307 . 9 1 1 A 25 25 ARG H H 24 8.339 8.389 -0.050 1
1 308 . 9 1 1 A 25 25 ARG HA H 24 3.973 4.018 -0.045 1
1 316 . 9 1 1 A 25 25 ARG C C 24 178.479 178.203 0.276 1
1 317 . 9 1 1 A 25 25 ARG CA C 24 57.337 59.377 -2.040 1
1 318 . 9 1 1 A 25 25 ARG CB C 24 28.663 30.203 -1.540 1
1 322 . 9 1 1 A 25 25 ARG N N 24 121.816 122.131 -0.315 1
1 324 . 9 1 1 A 26 26 GLU H H 25 7.133 8.613 -1.480 1
1 325 . 9 1 1 A 26 26 GLU HA H 25 4.052 4.140 -0.088 1
1 330 . 9 1 1 A 26 26 GLU C C 25 178.158 177.322 0.836 1
1 331 . 9 1 1 A 26 26 GLU CA C 25 58.367 57.916 0.451 1
1 332 . 9 1 1 A 26 26 GLU CB C 25 29.903 29.530 0.373 1
1 334 . 9 1 1 A 26 26 GLU N N 25 116.794 117.871 -1.077 1
1 335 . 9 1 1 A 27 27 GLN H H 26 7.283 8.257 -0.974 1
1 336 . 9 1 1 A 27 27 GLN HA H 26 3.888 4.337 -0.449 1
1 343 . 9 1 1 A 27 27 GLN C C 26 176.088 175.728 0.360 1
1 344 . 9 1 1 A 27 27 GLN CA C 26 57.676 56.581 1.095 1
1 345 . 9 1 1 A 27 27 GLN CB C 26 30.382 30.815 -0.433 1
1 348 . 9 1 1 A 27 27 GLN N N 26 116.373 117.406 -1.033 1
1 350 . 9 1 1 A 28 28 HIS H H 27 8.223 8.225 -0.002 1
1 351 . 9 1 1 A 28 28 HIS HA H 27 4.941 5.046 -0.105 1
1 356 . 9 1 1 A 28 28 HIS CA C 27 53.278 53.353 -0.075 1
1 357 . 9 1 1 A 28 28 HIS CB C 27 30.933 29.692 1.241 1
1 360 . 9 1 1 A 28 28 HIS N N 27 115.408 116.543 -1.135 1
1 361 . 9 1 1 A 29 29 PRO HA H 28 4.562 4.325 0.237 1
1 368 . 9 1 1 A 29 29 PRO C C 28 178.046 177.825 0.221 1
1 369 . 9 1 1 A 29 29 PRO CA C 28 64.821 64.594 0.227 1
1 370 . 9 1 1 A 29 29 PRO CB C 28 32.447 31.989 0.458 1
1 373 . 9 1 1 A 30 30 THR H H 29 7.820 7.741 0.079 1
1 374 . 9 1 1 A 30 30 THR HA H 29 4.583 4.346 0.237 1
1 379 . 9 1 1 A 30 30 THR C C 29 172.723 173.369 -0.646 1
1 380 . 9 1 1 A 30 30 THR CA C 29 60.826 61.956 -1.130 1
1 381 . 9 1 1 A 30 30 THR CB C 29 68.641 69.171 -0.530 1
1 383 . 9 1 1 A 30 30 THR N N 29 106.682 107.733 -1.051 1
1 384 . 9 1 1 A 31 31 LYS H H 30 7.453 7.109 0.344 1
1 385 . 9 1 1 A 31 31 LYS HA H 30 4.850 4.956 -0.106 1
1 394 . 9 1 1 A 31 31 LYS C C 30 174.296 174.666 -0.370 1
1 395 . 9 1 1 A 31 31 LYS CA C 30 53.944 54.446 -0.502 1
1 396 . 9 1 1 A 31 31 LYS CB C 30 36.098 36.100 -0.002 1
1 400 . 9 1 1 A 31 31 LYS N N 30 117.809 120.269 -2.460 1
1 401 . 9 1 1 A 32 32 ILE H H 31 9.265 9.321 -0.056 1
1 402 . 9 1 1 A 32 32 ILE HA H 31 4.106 4.237 -0.131 1
1 412 . 9 1 1 A 32 32 ILE CA C 31 54.606 57.575 -2.969 1
1 413 . 9 1 1 A 32 32 ILE CB C 31 38.448 38.318 0.130 1
1 417 . 9 1 1 A 32 32 ILE N N 31 122.497 123.057 -0.560 1
1 418 . 9 1 1 A 33 33 PRO HA H 32 5.252 4.878 0.374 1
1 425 . 9 1 1 A 33 33 PRO C C 32 174.652 176.706 -2.054 1
1 426 . 9 1 1 A 33 33 PRO CA C 32 61.704 62.510 -0.806 1
1 427 . 9 1 1 A 33 33 PRO CB C 32 31.873 31.889 -0.016 1
1 430 . 9 1 1 A 34 34 VAL H H 33 9.359 8.159 1.200 1
1 431 . 9 1 1 A 34 34 VAL HA H 33 5.298 5.222 0.076 1
1 439 . 9 1 1 A 34 34 VAL C C 33 173.633 174.822 -1.189 1
1 440 . 9 1 1 A 34 34 VAL CA C 33 59.830 59.456 0.374 1
1 441 . 9 1 1 A 34 34 VAL CB C 33 36.154 36.279 -0.125 1
1 444 . 9 1 1 A 34 34 VAL N N 33 124.496 116.360 8.136 1
1 445 . 9 1 1 A 35 35 ILE H H 34 8.667 9.126 -0.459 1
1 446 . 9 1 1 A 35 35 ILE HA H 34 4.867 4.982 -0.115 1
1 456 . 9 1 1 A 35 35 ILE C C 34 175.770 174.816 0.954 1
1 457 . 9 1 1 A 35 35 ILE CA C 34 56.320 60.444 -4.124 1
1 458 . 9 1 1 A 35 35 ILE CB C 34 36.909 39.597 -2.688 1
1 462 . 9 1 1 A 35 35 ILE N N 34 127.447 121.825 5.622 1
1 463 . 9 1 1 A 36 36 ILE H H 35 8.422 8.867 -0.445 1
1 464 . 9 1 1 A 36 36 ILE HA H 35 4.890 5.032 -0.142 1
1 474 . 9 1 1 A 36 36 ILE C C 35 175.098 175.509 -0.411 1
1 475 . 9 1 1 A 36 36 ILE CA C 35 60.806 60.649 0.157 1
1 476 . 9 1 1 A 36 36 ILE CB C 35 39.357 38.400 0.957 1
1 480 . 9 1 1 A 36 36 ILE N N 35 124.267 128.498 -4.231 1
1 481 . 9 1 1 A 37 37 GLU H H 36 8.335 8.782 -0.447 1
1 482 . 9 1 1 A 37 37 GLU HA H 36 4.820 4.875 -0.055 1
1 487 . 9 1 1 A 37 37 GLU C C 36 173.502 175.578 -2.076 1
1 488 . 9 1 1 A 37 37 GLU CA C 36 54.214 54.216 -0.002 1
1 489 . 9 1 1 A 37 37 GLU CB C 36 35.547 33.150 2.397 1
1 491 . 9 1 1 A 37 37 GLU N N 36 123.296 126.323 -3.027 1
1 492 . 9 1 1 A 38 38 ARG H H 37 8.891 8.213 0.678 1
1 493 . 9 1 1 A 38 38 ARG HA H 37 2.755 3.754 -0.999 1
1 501 . 9 1 1 A 38 38 ARG C C 37 176.165 175.293 0.872 1
1 502 . 9 1 1 A 38 38 ARG CA C 37 56.235 55.887 0.348 1
1 503 . 9 1 1 A 38 38 ARG CB C 37 31.328 30.637 0.691 1
1 507 . 9 1 1 A 38 38 ARG N N 37 123.143 121.645 1.498 1
1 509 . 9 1 1 A 39 39 TYR H H 38 8.681 7.871 0.810 1
1 510 . 9 1 1 A 39 39 TYR HA H 38 4.331 4.406 -0.075 1
1 517 . 9 1 1 A 39 39 TYR C C 38 177.064 175.228 1.836 1
1 518 . 9 1 1 A 39 39 TYR CA C 38 57.769 59.107 -1.338 1
1 519 . 9 1 1 A 39 39 TYR CB C 38 39.552 38.807 0.745 1
1 522 . 9 1 1 A 39 39 TYR N N 38 128.699 122.886 5.813 1
1 523 . 9 1 1 A 40 40 LYS H H 39 8.454 7.962 0.492 1
1 524 . 9 1 1 A 40 40 LYS HA H 39 3.841 4.004 -0.163 1
1 533 . 9 1 1 A 40 40 LYS C C 39 176.290 176.847 -0.557 1
1 534 . 9 1 1 A 40 40 LYS CA C 39 58.772 56.773 1.999 1
1 535 . 9 1 1 A 40 40 LYS CB C 39 31.738 31.599 0.139 1
1 539 . 9 1 1 A 40 40 LYS N N 39 130.022 123.874 6.148 1
1 540 . 9 1 1 A 41 41 GLY H H 40 5.457 8.610 -3.153 1
1 541 . 9 1 1 A 41 41 GLY HA2 H 40 3.306 4.007 -0.701 1
1 542 . 9 1 1 A 41 41 GLY HA3 H 40 3.999 4.104 -0.105 1
1 543 . 9 1 1 A 41 41 GLY C C 40 173.426 174.053 -0.627 1
1 544 . 9 1 1 A 41 41 GLY CA C 40 44.673 45.479 -0.806 1
1 545 . 9 1 1 A 41 41 GLY N N 40 104.628 113.470 -8.842 1
1 546 . 9 1 1 A 42 42 GLU H H 41 7.440 8.181 -0.741 1
1 547 . 9 1 1 A 42 42 GLU HA H 41 4.278 4.590 -0.312 1
1 552 . 9 1 1 A 42 42 GLU C C 41 176.306 176.502 -0.196 1
1 553 . 9 1 1 A 42 42 GLU CA C 41 56.358 55.159 1.199 1
1 554 . 9 1 1 A 42 42 GLU CB C 41 31.014 30.753 0.261 1
1 556 . 9 1 1 A 42 42 GLU N N 41 122.648 120.625 2.023 1
1 557 . 9 1 1 A 43 43 LYS H H 42 8.912 8.435 0.477 1
1 558 . 9 1 1 A 43 43 LYS HA H 42 4.680 4.601 0.079 1
1 567 . 9 1 1 A 43 43 LYS C C 42 177.063 178.259 -1.196 1
1 568 . 9 1 1 A 43 43 LYS CA C 42 55.652 57.003 -1.351 1
1 569 . 9 1 1 A 43 43 LYS CB C 42 34.871 34.109 0.762 1
1 573 . 9 1 1 A 43 43 LYS N N 42 123.569 123.236 0.333 1
1 574 . 9 1 1 A 44 44 GLN H H 43 8.446 8.115 0.331 1
1 575 . 9 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1
1 582 . 9 1 1 A 44 44 GLN C C 43 177.152 177.107 0.045 1
1 583 . 9 1 1 A 44 44 GLN CA C 43 57.561 59.027 -1.466 1
1 584 . 9 1 1 A 44 44 GLN CB C 43 30.671 28.544 2.127 1
1 587 . 9 1 1 A 44 44 GLN N N 43 118.990 118.303 0.687 1
1 589 . 9 1 1 A 45 45 LEU H H 44 9.043 8.116 0.927 1
1 590 . 9 1 1 A 45 45 LEU HA H 44 4.716 4.467 0.249 1
1 600 . 9 1 1 A 45 45 LEU CA C 44 53.078 53.906 -0.828 1
1 601 . 9 1 1 A 45 45 LEU CB C 44 43.614 41.266 2.348 1
1 605 . 9 1 1 A 45 45 LEU N N 44 120.375 120.344 0.031 1
1 606 . 9 1 1 A 46 46 PRO HA H 45 4.723 4.644 0.079 1
1 613 . 9 1 1 A 46 46 PRO C C 45 175.883 176.010 -0.127 1
1 614 . 9 1 1 A 46 46 PRO CA C 45 62.005 62.241 -0.236 1
1 615 . 9 1 1 A 46 46 PRO CB C 45 32.609 32.327 0.282 1
1 618 . 9 1 1 A 47 47 VAL H H 46 8.437 8.552 -0.115 1
1 619 . 9 1 1 A 47 47 VAL HA H 46 3.914 4.345 -0.431 1
1 627 . 9 1 1 A 47 47 VAL C C 46 175.367 176.072 -0.705 1
1 628 . 9 1 1 A 47 47 VAL CA C 46 62.700 61.761 0.939 1
1 629 . 9 1 1 A 47 47 VAL CB C 46 32.927 32.080 0.847 1
1 632 . 9 1 1 A 47 47 VAL N N 46 118.440 121.493 -3.053 1
1 633 . 9 1 1 A 48 48 LEU H H 47 7.863 8.576 -0.713 1
1 634 . 9 1 1 A 48 48 LEU HA H 47 4.384 4.099 0.285 1
1 644 . 9 1 1 A 48 48 LEU C C 47 176.088 177.975 -1.887 1
1 645 . 9 1 1 A 48 48 LEU CA C 47 54.851 55.999 -1.148 1
1 646 . 9 1 1 A 48 48 LEU CB C 47 43.841 44.092 -0.251 1
1 650 . 9 1 1 A 48 48 LEU N N 47 129.127 129.310 -0.183 1
1 651 . 9 1 1 A 49 49 ASP H H 48 8.699 8.835 -0.136 1
1 652 . 9 1 1 A 49 49 ASP HA H 48 4.293 4.347 -0.054 1
1 655 . 9 1 1 A 49 49 ASP C C 48 175.121 175.647 -0.526 1
1 656 . 9 1 1 A 49 49 ASP CA C 48 55.717 57.495 -1.778 1
1 657 . 9 1 1 A 49 49 ASP CB C 48 40.260 40.777 -0.517 1
1 658 . 9 1 1 A 49 49 ASP N N 48 121.389 125.391 -4.002 1
1 659 . 9 1 1 A 50 50 LYS H H 49 7.251 7.460 -0.209 1
1 660 . 9 1 1 A 50 50 LYS HA H 49 4.540 4.539 0.001 1
1 669 . 9 1 1 A 50 50 LYS C C 49 174.664 175.331 -0.667 1
1 670 . 9 1 1 A 50 50 LYS CA C 49 53.211 55.136 -1.925 1
1 671 . 9 1 1 A 50 50 LYS CB C 49 35.514 33.509 2.005 1
1 675 . 9 1 1 A 50 50 LYS N N 49 118.260 113.079 5.181 1
1 676 . 9 1 1 A 51 51 THR H H 50 8.162 8.150 0.012 1
1 677 . 9 1 1 A 51 51 THR HA H 50 4.685 4.838 -0.153 1
1 682 . 9 1 1 A 51 51 THR C C 50 171.631 174.297 -2.666 1
1 683 . 9 1 1 A 51 51 THR CA C 50 63.581 62.371 1.210 1
1 684 . 9 1 1 A 51 51 THR CB C 50 71.587 70.032 1.555 1
1 686 . 9 1 1 A 51 51 THR N N 50 112.535 112.725 -0.190 1
1 687 . 9 1 1 A 52 52 LYS H H 51 6.971 7.566 -0.595 1
1 688 . 9 1 1 A 52 52 LYS HA H 51 4.443 4.961 -0.518 1
1 697 . 9 1 1 A 52 52 LYS C C 51 175.417 175.744 -0.327 1
1 698 . 9 1 1 A 52 52 LYS CA C 51 55.209 55.011 0.198 1
1 699 . 9 1 1 A 52 52 LYS CB C 51 33.309 34.257 -0.948 1
1 703 . 9 1 1 A 52 52 LYS N N 51 120.227 119.865 0.362 1
1 704 . 9 1 1 A 53 53 PHE H H 52 9.688 8.902 0.786 1
1 705 . 9 1 1 A 53 53 PHE HA H 52 5.675 4.945 0.730 1
1 712 . 9 1 1 A 53 53 PHE C C 52 174.348 174.489 -0.141 1
1 713 . 9 1 1 A 53 53 PHE CA C 52 56.625 56.654 -0.029 1
1 714 . 9 1 1 A 53 53 PHE CB C 52 43.109 43.662 -0.553 1
1 716 . 9 1 1 A 53 53 PHE N N 52 124.646 121.357 3.289 1
1 717 . 9 1 1 A 54 54 LEU H H 53 8.470 9.060 -0.590 1
1 718 . 9 1 1 A 54 54 LEU HA H 53 5.044 4.828 0.216 1
1 728 . 9 1 1 A 54 54 LEU C C 53 176.144 175.807 0.337 1
1 729 . 9 1 1 A 54 54 LEU CA C 53 52.954 53.225 -0.271 1
1 730 . 9 1 1 A 54 54 LEU CB C 53 45.081 42.389 2.692 1
1 734 . 9 1 1 A 54 54 LEU N N 53 119.430 123.554 -4.124 1
1 735 . 9 1 1 A 55 55 VAL H H 54 8.802 8.658 0.144 1
1 736 . 9 1 1 A 55 55 VAL HA H 54 4.640 4.492 0.148 1
1 744 . 9 1 1 A 55 55 VAL CA C 54 58.549 59.655 -1.106 1
1 745 . 9 1 1 A 55 55 VAL CB C 54 35.342 31.859 3.483 1
1 748 . 9 1 1 A 55 55 VAL N N 54 123.841 125.998 -2.157 1
1 749 . 9 1 1 A 56 56 PRO HA H 55 4.439 4.612 -0.173 1
1 756 . 9 1 1 A 56 56 PRO C C 55 176.666 176.316 0.350 1
1 757 . 9 1 1 A 56 56 PRO CA C 55 64.256 62.196 2.060 1
1 758 . 9 1 1 A 56 56 PRO CB C 55 32.783 31.550 1.233 1
1 761 . 9 1 1 A 57 57 ASP H H 56 8.412 7.940 0.472 1
1 762 . 9 1 1 A 57 57 ASP HA H 56 3.848 4.468 -0.620 1
1 765 . 9 1 1 A 57 57 ASP C C 56 175.417 176.540 -1.123 1
1 766 . 9 1 1 A 57 57 ASP CA C 56 56.616 53.767 2.849 1
1 767 . 9 1 1 A 57 57 ASP CB C 56 40.410 40.023 0.387 1
1 768 . 9 1 1 A 57 57 ASP N N 56 120.415 122.282 -1.867 1
1 769 . 9 1 1 A 58 58 HIS H H 57 7.373 7.525 -0.152 1
1 770 . 9 1 1 A 58 58 HIS HA H 57 4.770 4.813 -0.043 1
1 775 . 9 1 1 A 58 58 HIS C C 57 176.594 174.049 2.545 1
1 776 . 9 1 1 A 58 58 HIS CA C 57 55.584 55.198 0.386 1
1 777 . 9 1 1 A 58 58 HIS CB C 57 30.628 31.160 -0.532 1
1 780 . 9 1 1 A 58 58 HIS N N 57 113.439 114.109 -0.670 1
1 781 . 9 1 1 A 59 59 VAL H H 58 7.249 7.535 -0.286 1
1 782 . 9 1 1 A 59 59 VAL HA H 58 3.903 4.832 -0.929 1
1 790 . 9 1 1 A 59 59 VAL C C 58 175.014 173.562 1.452 1
1 791 . 9 1 1 A 59 59 VAL CA C 58 62.726 58.965 3.761 1
1 792 . 9 1 1 A 59 59 VAL CB C 58 32.190 36.152 -3.962 1
1 795 . 9 1 1 A 59 59 VAL N N 58 122.597 115.597 7.000 1
1 796 . 9 1 1 A 60 60 ASN H H 59 8.677 8.403 0.274 1
1 797 . 9 1 1 A 60 60 ASN HA H 59 5.187 5.244 -0.057 1
1 802 . 9 1 1 A 60 60 ASN C C 59 176.477 176.852 -0.375 1
1 803 . 9 1 1 A 60 60 ASN CA C 59 51.181 51.413 -0.232 1
1 804 . 9 1 1 A 60 60 ASN CB C 59 39.947 41.668 -1.721 1
1 806 . 9 1 1 A 60 60 ASN N N 59 122.962 117.370 5.592 1
1 808 . 9 1 1 A 61 61 MET H H 60 8.038 8.778 -0.740 1
1 809 . 9 1 1 A 61 61 MET HA H 60 4.426 4.204 0.222 1
1 817 . 9 1 1 A 61 61 MET C C 60 177.996 178.537 -0.541 1
1 818 . 9 1 1 A 61 61 MET CA C 60 57.118 58.343 -1.225 1
1 819 . 9 1 1 A 61 61 MET CB C 60 29.998 31.916 -1.918 1
1 822 . 9 1 1 A 61 61 MET N N 60 116.814 120.548 -3.734 1
1 823 . 9 1 1 A 62 62 SER H H 61 8.401 8.245 0.156 1
1 824 . 9 1 1 A 62 62 SER HA H 61 4.132 4.092 0.040 1
1 827 . 9 1 1 A 62 62 SER C C 61 177.255 177.130 0.125 1
1 828 . 9 1 1 A 62 62 SER CA C 61 61.559 61.417 0.142 1
1 829 . 9 1 1 A 62 62 SER CB C 61 62.430 62.956 -0.526 1
1 830 . 9 1 1 A 62 62 SER N N 61 114.109 115.669 -1.560 1
1 831 . 9 1 1 A 63 63 GLU H H 62 8.014 8.143 -0.129 1
1 832 . 9 1 1 A 63 63 GLU HA H 62 4.016 3.972 0.044 1
1 837 . 9 1 1 A 63 63 GLU C C 62 178.327 179.015 -0.688 1
1 838 . 9 1 1 A 63 63 GLU CA C 62 58.787 59.544 -0.757 1
1 839 . 9 1 1 A 63 63 GLU CB C 62 29.814 29.265 0.549 1
1 841 . 9 1 1 A 63 63 GLU N N 62 122.806 121.069 1.737 1
1 842 . 9 1 1 A 64 64 LEU H H 63 8.254 8.171 0.083 1
1 843 . 9 1 1 A 64 64 LEU HA H 63 3.932 3.967 -0.035 1
1 853 . 9 1 1 A 64 64 LEU C C 63 178.029 178.552 -0.523 1
1 854 . 9 1 1 A 64 64 LEU CA C 63 57.986 58.333 -0.347 1
1 855 . 9 1 1 A 64 64 LEU CB C 63 41.377 41.871 -0.494 1
1 859 . 9 1 1 A 64 64 LEU N N 63 120.526 121.873 -1.347 1
1 860 . 9 1 1 A 65 65 ILE H H 64 8.415 8.366 0.049 1
1 861 . 9 1 1 A 65 65 ILE HA H 64 3.377 3.638 -0.261 1
1 871 . 9 1 1 A 65 65 ILE C C 64 177.078 178.060 -0.982 1
1 872 . 9 1 1 A 65 65 ILE CA C 64 66.699 66.327 0.372 1
1 873 . 9 1 1 A 65 65 ILE CB C 64 38.128 37.743 0.385 1
1 877 . 9 1 1 A 65 65 ILE N N 64 118.349 119.997 -1.648 1
1 878 . 9 1 1 A 66 66 LYS H H 65 7.366 7.853 -0.487 1
1 879 . 9 1 1 A 66 66 LYS HA H 65 3.696 4.085 -0.389 1
1 888 . 9 1 1 A 66 66 LYS C C 65 179.260 178.988 0.272 1
1 889 . 9 1 1 A 66 66 LYS CA C 65 60.593 59.531 1.062 1
1 890 . 9 1 1 A 66 66 LYS CB C 65 32.421 32.825 -0.404 1
1 894 . 9 1 1 A 66 66 LYS N N 65 118.334 118.627 -0.293 1
1 895 . 9 1 1 A 67 67 ILE H H 66 8.179 7.982 0.197 1
1 896 . 9 1 1 A 67 67 ILE HA H 66 3.546 3.652 -0.106 1
1 906 . 9 1 1 A 67 67 ILE C C 66 178.784 177.670 1.114 1
1 907 . 9 1 1 A 67 67 ILE CA C 66 65.488 65.262 0.226 1
1 908 . 9 1 1 A 67 67 ILE CB C 66 38.593 37.764 0.829 1
1 912 . 9 1 1 A 67 67 ILE N N 66 119.791 119.615 0.176 1
1 913 . 9 1 1 A 68 68 ILE H H 67 8.279 8.452 -0.173 1
1 914 . 9 1 1 A 68 68 ILE HA H 67 3.391 3.456 -0.065 1
1 924 . 9 1 1 A 68 68 ILE C C 67 177.403 177.880 -0.477 1
1 925 . 9 1 1 A 68 68 ILE CA C 67 63.144 65.147 -2.003 1
1 926 . 9 1 1 A 68 68 ILE CB C 67 35.269 37.687 -2.418 1
1 930 . 9 1 1 A 68 68 ILE N N 67 120.267 120.401 -0.134 1
1 931 . 9 1 1 A 69 69 ARG H H 68 8.454 8.188 0.266 1
1 932 . 9 1 1 A 69 69 ARG HA H 68 2.966 3.308 -0.342 1
1 939 . 9 1 1 A 69 69 ARG C C 68 178.385 178.056 0.329 1
1 940 . 9 1 1 A 69 69 ARG CA C 68 60.642 58.437 2.205 1
1 941 . 9 1 1 A 69 69 ARG CB C 68 30.442 30.000 0.442 1
1 944 . 9 1 1 A 69 69 ARG N N 68 118.881 120.139 -1.258 1
1 945 . 9 1 1 A 70 70 ARG H H 69 7.492 7.909 -0.417 1
1 946 . 9 1 1 A 70 70 ARG HA H 69 4.164 4.046 0.118 1
1 954 . 9 1 1 A 70 70 ARG C C 69 180.253 178.649 1.604 1
1 955 . 9 1 1 A 70 70 ARG CA C 69 58.510 59.434 -0.924 1
1 956 . 9 1 1 A 70 70 ARG CB C 69 29.587 29.738 -0.151 1
1 960 . 9 1 1 A 70 70 ARG N N 69 116.411 119.054 -2.643 1
1 962 . 9 1 1 A 71 71 ARG H H 70 8.086 8.105 -0.019 1
1 963 . 9 1 1 A 71 71 ARG HA H 70 4.025 4.043 -0.018 1
1 970 . 9 1 1 A 71 71 ARG C C 70 178.558 178.660 -0.102 1
1 971 . 9 1 1 A 71 71 ARG CA C 70 59.428 59.131 0.297 1
1 972 . 9 1 1 A 71 71 ARG CB C 70 30.235 30.278 -0.043 1
1 975 . 9 1 1 A 71 71 ARG N N 70 122.779 118.984 3.795 1
1 976 . 9 1 1 A 72 72 LEU H H 71 7.755 7.657 0.098 1
1 977 . 9 1 1 A 72 72 LEU HA H 71 4.081 4.092 -0.011 1
1 987 . 9 1 1 A 72 72 LEU C C 71 174.852 176.488 -1.636 1
1 988 . 9 1 1 A 72 72 LEU CA C 71 55.060 55.443 -0.383 1
1 989 . 9 1 1 A 72 72 LEU CB C 71 43.109 41.698 1.411 1
1 993 . 9 1 1 A 72 72 LEU N N 71 116.551 118.864 -2.313 1
1 994 . 9 1 1 A 73 73 GLN H H 72 7.740 7.613 0.127 1
1 995 . 9 1 1 A 73 73 GLN HA H 72 3.853 3.946 -0.093 1
1 1002 . 9 1 1 A 73 73 GLN C C 72 175.619 174.914 0.705 1
1 1003 . 9 1 1 A 73 73 GLN CA C 72 56.273 56.579 -0.306 1
1 1004 . 9 1 1 A 73 73 GLN CB C 72 25.939 26.362 -0.423 1
1 1007 . 9 1 1 A 73 73 GLN N N 72 114.737 117.829 -3.092 1
1 1009 . 9 1 1 A 74 74 LEU H H 73 7.525 7.905 -0.380 1
1 1010 . 9 1 1 A 74 74 LEU HA H 73 4.242 4.391 -0.149 1
1 1020 . 9 1 1 A 74 74 LEU C C 73 178.611 176.375 2.236 1
1 1021 . 9 1 1 A 74 74 LEU CA C 73 54.382 54.517 -0.135 1
1 1022 . 9 1 1 A 74 74 LEU CB C 73 41.995 42.282 -0.287 1
1 1026 . 9 1 1 A 74 74 LEU N N 73 114.861 120.778 -5.917 1
1 1027 . 9 1 1 A 75 75 ASN H H 74 8.970 8.513 0.457 1
1 1028 . 9 1 1 A 75 75 ASN HA H 74 4.694 4.983 -0.289 1
1 1033 . 9 1 1 A 75 75 ASN C C 74 176.527 176.204 0.323 1
1 1034 . 9 1 1 A 75 75 ASN CA C 74 52.686 50.842 1.844 1
1 1035 . 9 1 1 A 75 75 ASN CB C 74 39.583 41.322 -1.739 1
1 1037 . 9 1 1 A 75 75 ASN N N 74 121.274 119.468 1.806 1
1 1039 . 9 1 1 A 76 76 ALA H H 75 8.697 8.597 0.100 1
1 1040 . 9 1 1 A 76 76 ALA HA H 75 3.966 4.135 -0.169 1
1 1044 . 9 1 1 A 76 76 ALA C C 75 178.002 178.153 -0.151 1
1 1045 . 9 1 1 A 76 76 ALA CA C 75 54.797 54.085 0.712 1
1 1046 . 9 1 1 A 76 76 ALA CB C 75 18.669 18.504 0.165 1
1 1047 . 9 1 1 A 76 76 ALA N N 75 123.590 124.517 -0.927 1
1 1048 . 9 1 1 A 77 77 ASN H H 76 8.344 7.950 0.394 1
1 1049 . 9 1 1 A 77 77 ASN HA H 76 4.585 4.727 -0.142 1
1 1054 . 9 1 1 A 77 77 ASN C C 76 175.371 175.467 -0.096 1
1 1055 . 9 1 1 A 77 77 ASN CA C 76 53.183 54.535 -1.352 1
1 1056 . 9 1 1 A 77 77 ASN CB C 76 38.277 39.495 -1.218 1
1 1058 . 9 1 1 A 77 77 ASN N N 76 112.004 114.666 -2.662 1
1 1060 . 9 1 1 A 78 78 GLN H H 77 7.532 7.639 -0.107 1
1 1061 . 9 1 1 A 78 78 GLN HA H 77 4.281 4.622 -0.341 1
1 1068 . 9 1 1 A 78 78 GLN C C 77 175.001 174.970 0.031 1
1 1069 . 9 1 1 A 78 78 GLN CA C 77 55.875 55.444 0.431 1
1 1070 . 9 1 1 A 78 78 GLN CB C 77 30.227 29.956 0.271 1
1 1073 . 9 1 1 A 78 78 GLN N N 77 120.237 119.705 0.532 1
1 1075 . 9 1 1 A 79 79 ALA H H 78 8.732 8.650 0.082 1
1 1076 . 9 1 1 A 79 79 ALA HA H 78 4.183 4.979 -0.796 1
1 1080 . 9 1 1 A 79 79 ALA C C 78 176.367 176.524 -0.157 1
1 1081 . 9 1 1 A 79 79 ALA CA C 78 52.798 51.497 1.301 1
1 1082 . 9 1 1 A 79 79 ALA CB C 78 20.051 20.684 -0.633 1
1 1083 . 9 1 1 A 79 79 ALA N N 78 130.399 129.295 1.104 1
1 1084 . 9 1 1 A 80 80 PHE H H 79 7.603 8.478 -0.875 1
1 1085 . 9 1 1 A 80 80 PHE HA H 79 4.449 5.210 -0.761 1
1 1093 . 9 1 1 A 80 80 PHE C C 79 171.709 173.006 -1.297 1
1 1094 . 9 1 1 A 80 80 PHE CA C 79 59.101 57.117 1.984 1
1 1095 . 9 1 1 A 80 80 PHE CB C 79 42.282 42.611 -0.329 1
1 1099 . 9 1 1 A 80 80 PHE N N 79 118.988 122.393 -3.405 1
1 1100 . 9 1 1 A 81 81 PHE H H 80 8.507 9.089 -0.582 1
1 1101 . 9 1 1 A 81 81 PHE HA H 80 4.421 4.475 -0.054 1
1 1109 . 9 1 1 A 81 81 PHE C C 80 172.644 173.843 -1.199 1
1 1110 . 9 1 1 A 81 81 PHE CA C 80 56.711 55.891 0.820 1
1 1111 . 9 1 1 A 81 81 PHE CB C 80 41.880 42.769 -0.889 1
1 1115 . 9 1 1 A 81 81 PHE N N 80 126.042 124.779 1.263 1
1 1116 . 9 1 1 A 82 82 LEU H H 81 8.199 8.679 -0.480 1
1 1117 . 9 1 1 A 82 82 LEU HA H 81 4.883 4.879 0.004 1
1 1127 . 9 1 1 A 82 82 LEU C C 81 174.440 174.885 -0.445 1
1 1128 . 9 1 1 A 82 82 LEU CA C 81 53.153 54.109 -0.956 1
1 1129 . 9 1 1 A 82 82 LEU CB C 81 45.520 43.496 2.024 1
1 1133 . 9 1 1 A 82 82 LEU N N 81 121.512 125.652 -4.140 1
1 1134 . 9 1 1 A 83 83 LEU H H 82 9.349 9.766 -0.417 1
1 1135 . 9 1 1 A 83 83 LEU HA H 82 4.810 4.658 0.152 1
1 1145 . 9 1 1 A 83 83 LEU C C 82 177.075 175.955 1.120 1
1 1146 . 9 1 1 A 83 83 LEU CA C 82 54.122 54.075 0.047 1
1 1147 . 9 1 1 A 83 83 LEU CB C 82 43.394 41.371 2.023 1
1 1151 . 9 1 1 A 83 83 LEU N N 82 125.253 129.099 -3.846 1
1 1152 . 9 1 1 A 84 84 VAL H H 83 8.681 9.102 -0.421 1
1 1153 . 9 1 1 A 84 84 VAL HA H 83 4.411 4.044 0.367 1
1 1161 . 9 1 1 A 84 84 VAL C C 83 175.797 176.184 -0.387 1
1 1162 . 9 1 1 A 84 84 VAL CA C 83 61.630 62.107 -0.477 1
1 1163 . 9 1 1 A 84 84 VAL CB C 83 33.647 31.152 2.495 1
1 1166 . 9 1 1 A 84 84 VAL N N 83 123.543 125.594 -2.051 1
1 1167 . 9 1 1 A 85 85 ASN H H 84 9.622 9.100 0.522 1
1 1168 . 9 1 1 A 85 85 ASN HA H 84 4.399 4.662 -0.263 1
1 1173 . 9 1 1 A 85 85 ASN C C 84 175.042 174.979 0.063 1
1 1174 . 9 1 1 A 85 85 ASN CA C 84 54.610 54.172 0.438 1
1 1175 . 9 1 1 A 85 85 ASN CB C 84 37.927 36.893 1.034 1
1 1177 . 9 1 1 A 85 85 ASN N N 84 125.848 127.254 -1.406 1
1 1179 . 9 1 1 A 86 86 GLY H H 85 8.551 8.263 0.288 1
1 1180 . 9 1 1 A 86 86 GLY HA2 H 85 3.368 3.881 -0.513 1
1 1181 . 9 1 1 A 86 86 GLY HA3 H 85 4.064 3.904 0.160 1
1 1182 . 9 1 1 A 86 86 GLY C C 85 173.524 173.672 -0.148 1
1 1183 . 9 1 1 A 86 86 GLY CA C 85 45.588 45.327 0.261 1
1 1184 . 9 1 1 A 86 86 GLY N N 85 101.093 104.960 -3.867 1
1 1185 . 9 1 1 A 87 87 HIS H H 86 7.906 7.443 0.463 1
1 1186 . 9 1 1 A 87 87 HIS HA H 86 5.003 5.229 -0.226 1
1 1191 . 9 1 1 A 87 87 HIS C C 86 173.910 174.301 -0.391 1
1 1192 . 9 1 1 A 87 87 HIS CA C 86 54.213 53.653 0.560 1
1 1193 . 9 1 1 A 87 87 HIS CB C 86 31.482 32.855 -1.373 1
1 1196 . 9 1 1 A 87 87 HIS N N 86 117.253 115.160 2.093 1
1 1197 . 9 1 1 A 88 88 SER H H 87 8.846 8.944 -0.098 1
1 1198 . 9 1 1 A 88 88 SER HA H 87 4.702 4.463 0.239 1
1 1201 . 9 1 1 A 88 88 SER C C 87 175.739 175.175 0.564 1
1 1202 . 9 1 1 A 88 88 SER CA C 87 58.245 58.104 0.141 1
1 1203 . 9 1 1 A 88 88 SER CB C 87 63.764 64.899 -1.135 1
1 1204 . 9 1 1 A 88 88 SER N N 87 117.469 115.259 2.210 1
1 1205 . 9 1 1 A 89 89 MET H H 88 9.174 8.459 0.715 1
1 1206 . 9 1 1 A 89 89 MET HA H 88 4.820 4.931 -0.111 1
1 1214 . 9 1 1 A 89 89 MET C C 88 176.294 177.159 -0.865 1
1 1215 . 9 1 1 A 89 89 MET CA C 88 54.853 53.999 0.854 1
1 1216 . 9 1 1 A 89 89 MET CB C 88 33.183 32.251 0.932 1
1 1219 . 9 1 1 A 89 89 MET N N 88 125.111 118.344 6.767 1
1 1220 . 9 1 1 A 90 90 VAL H H 89 8.217 7.867 0.350 1
1 1221 . 9 1 1 A 90 90 VAL HA H 89 4.063 3.713 0.350 1
1 1229 . 9 1 1 A 90 90 VAL C C 89 176.249 176.457 -0.208 1
1 1230 . 9 1 1 A 90 90 VAL CA C 89 63.377 65.823 -2.446 1
1 1231 . 9 1 1 A 90 90 VAL CB C 89 32.473 31.844 0.629 1
1 1234 . 9 1 1 A 90 90 VAL N N 89 120.477 121.547 -1.070 1
1 1235 . 9 1 1 A 91 91 SER H H 90 8.356 8.040 0.316 1
1 1236 . 9 1 1 A 91 91 SER HA H 90 4.614 4.786 -0.172 1
1 1239 . 9 1 1 A 91 91 SER C C 90 175.841 172.550 3.291 1
1 1240 . 9 1 1 A 91 91 SER CA C 90 57.860 56.595 1.265 1
1 1241 . 9 1 1 A 91 91 SER CB C 90 63.398 64.497 -1.099 1
1 1242 . 9 1 1 A 91 91 SER N N 90 116.676 113.386 3.290 1
1 1243 . 9 1 1 A 92 92 VAL H H 91 8.158 8.925 -0.767 1
1 1244 . 9 1 1 A 92 92 VAL HA H 91 4.245 4.756 -0.511 1
1 1252 . 9 1 1 A 92 92 VAL C C 91 175.856 175.502 0.354 1
1 1253 . 9 1 1 A 92 92 VAL CA C 91 63.121 61.433 1.688 1
1 1254 . 9 1 1 A 92 92 VAL CB C 91 31.872 33.010 -1.138 1
1 1257 . 9 1 1 A 92 92 VAL N N 91 119.994 127.873 -7.879 1
1 1258 . 9 1 1 A 93 93 SER H H 92 8.368 8.867 -0.499 1
1 1259 . 9 1 1 A 93 93 SER HA H 92 4.581 4.785 -0.204 1
1 1262 . 9 1 1 A 93 93 SER C C 92 174.154 173.566 0.588 1
1 1263 . 9 1 1 A 93 93 SER CA C 92 57.706 57.301 0.405 1
1 1264 . 9 1 1 A 93 93 SER CB C 92 63.126 64.185 -1.059 1
1 1265 . 9 1 1 A 93 93 SER N N 92 116.504 126.511 -10.007 1
1 1266 . 9 1 1 A 94 94 THR H H 93 7.427 7.638 -0.211 1
1 1267 . 9 1 1 A 94 94 THR HA H 93 4.464 4.668 -0.204 1
1 1272 . 9 1 1 A 94 94 THR CA C 93 61.032 59.133 1.899 1
1 1273 . 9 1 1 A 94 94 THR CB C 93 70.505 71.483 -0.978 1
1 1275 . 9 1 1 A 94 94 THR N N 93 119.172 116.264 2.908 1
1 1276 . 9 1 1 A 95 95 PRO HA H 94 4.426 4.695 -0.269 1
1 1283 . 9 1 1 A 95 95 PRO C C 94 178.692 178.009 0.683 1
1 1284 . 9 1 1 A 95 95 PRO CA C 94 62.921 62.688 0.233 1
1 1285 . 9 1 1 A 95 95 PRO CB C 94 32.774 32.449 0.325 1
1 1288 . 9 1 1 A 96 96 ILE H H 95 9.324 9.024 0.300 1
1 1289 . 9 1 1 A 96 96 ILE HA H 95 3.956 3.986 -0.030 1
1 1299 . 9 1 1 A 96 96 ILE C C 95 176.415 176.836 -0.421 1
1 1300 . 9 1 1 A 96 96 ILE CA C 95 63.880 63.481 0.399 1
1 1301 . 9 1 1 A 96 96 ILE CB C 95 38.055 37.975 0.080 1
1 1305 . 9 1 1 A 96 96 ILE N N 95 123.862 125.527 -1.665 1
1 1306 . 9 1 1 A 97 97 SER H H 96 8.211 8.305 -0.094 1
1 1307 . 9 1 1 A 97 97 SER HA H 96 3.978 4.054 -0.076 1
1 1310 . 9 1 1 A 97 97 SER C C 96 176.494 177.313 -0.819 1
1 1311 . 9 1 1 A 97 97 SER CA C 96 61.576 61.510 0.066 1
1 1312 . 9 1 1 A 97 97 SER CB C 96 61.262 62.307 -1.045 1
1 1313 . 9 1 1 A 97 97 SER N N 96 116.529 117.368 -0.839 1
1 1314 . 9 1 1 A 98 98 GLU H H 97 7.329 8.052 -0.723 1
1 1315 . 9 1 1 A 98 98 GLU HA H 97 4.290 4.235 0.055 1
1 1320 . 9 1 1 A 98 98 GLU C C 97 179.288 178.829 0.459 1
1 1321 . 9 1 1 A 98 98 GLU CA C 97 58.705 59.139 -0.434 1
1 1322 . 9 1 1 A 98 98 GLU CB C 97 29.791 30.255 -0.464 1
1 1324 . 9 1 1 A 98 98 GLU N N 97 122.955 122.801 0.154 1
1 1325 . 9 1 1 A 99 99 VAL H H 98 7.386 8.521 -1.135 1
1 1326 . 9 1 1 A 99 99 VAL HA H 98 3.815 3.761 0.054 1
1 1334 . 9 1 1 A 99 99 VAL C C 98 177.662 178.069 -0.407 1
1 1335 . 9 1 1 A 99 99 VAL CA C 98 65.774 66.127 -0.353 1
1 1336 . 9 1 1 A 99 99 VAL CB C 98 32.047 31.699 0.348 1
1 1339 . 9 1 1 A 99 99 VAL N N 98 120.888 120.566 0.322 1
1 1340 . 9 1 1 A 100 100 TYR H H 99 8.984 7.663 1.321 1
1 1341 . 9 1 1 A 100 100 TYR HA H 99 4.013 4.289 -0.276 1
1 1348 . 9 1 1 A 100 100 TYR C C 99 176.355 177.995 -1.640 1
1 1349 . 9 1 1 A 100 100 TYR CA C 99 62.118 60.722 1.396 1
1 1350 . 9 1 1 A 100 100 TYR CB C 99 38.921 38.624 0.297 1
1 1353 . 9 1 1 A 100 100 TYR N N 99 118.874 120.845 -1.971 1
1 1354 . 9 1 1 A 101 101 GLU H H 100 7.433 8.811 -1.378 1
1 1355 . 9 1 1 A 101 101 GLU HA H 100 3.833 4.241 -0.408 1
1 1360 . 9 1 1 A 101 101 GLU C C 100 177.674 176.825 0.849 1
1 1361 . 9 1 1 A 101 101 GLU CA C 100 58.895 58.006 0.889 1
1 1362 . 9 1 1 A 101 101 GLU CB C 100 29.577 28.782 0.795 1
1 1364 . 9 1 1 A 101 101 GLU N N 100 114.383 118.213 -3.830 1
1 1365 . 9 1 1 A 102 102 SER H H 101 7.423 7.903 -0.480 1
1 1366 . 9 1 1 A 102 102 SER HA H 101 4.552 4.709 -0.157 1
1 1369 . 9 1 1 A 102 102 SER C C 101 176.554 174.676 1.878 1
1 1370 . 9 1 1 A 102 102 SER CA C 101 60.200 58.417 1.783 1
1 1371 . 9 1 1 A 102 102 SER CB C 101 64.828 64.143 0.685 1
1 1372 . 9 1 1 A 102 102 SER N N 101 108.722 115.260 -6.538 1
1 1373 . 9 1 1 A 103 103 GLU H H 102 8.488 7.754 0.734 1
1 1374 . 9 1 1 A 103 103 GLU HA H 102 4.752 4.433 0.319 1
1 1379 . 9 1 1 A 103 103 GLU C C 102 176.653 176.345 0.308 1
1 1380 . 9 1 1 A 103 103 GLU CA C 102 55.464 57.304 -1.840 1
1 1381 . 9 1 1 A 103 103 GLU CB C 102 30.611 32.168 -1.557 1
1 1383 . 9 1 1 A 103 103 GLU N N 102 116.116 118.364 -2.248 1
1 1384 . 9 1 1 A 104 104 ARG H H 103 7.511 7.705 -0.194 1
1 1385 . 9 1 1 A 104 104 ARG HA H 103 4.241 4.175 0.066 1
1 1392 . 9 1 1 A 104 104 ARG C C 103 174.634 175.521 -0.887 1
1 1393 . 9 1 1 A 104 104 ARG CA C 103 56.926 56.139 0.787 1
1 1394 . 9 1 1 A 104 104 ARG CB C 103 29.713 29.861 -0.148 1
1 1397 . 9 1 1 A 104 104 ARG N N 103 117.180 118.132 -0.952 1
1 1398 . 9 1 1 A 105 105 ASP H H 104 9.069 8.869 0.200 1
1 1399 . 9 1 1 A 105 105 ASP HA H 104 4.774 5.079 -0.305 1
1 1402 . 9 1 1 A 105 105 ASP C C 104 177.460 176.889 0.571 1
1 1403 . 9 1 1 A 105 105 ASP CA C 104 53.852 52.466 1.386 1
1 1404 . 9 1 1 A 105 105 ASP CB C 104 43.424 43.475 -0.051 1
1 1405 . 9 1 1 A 105 105 ASP N N 104 123.349 122.199 1.150 1
1 1406 . 9 1 1 A 106 106 GLU H H 105 8.982 8.992 -0.010 1
1 1407 . 9 1 1 A 106 106 GLU HA H 105 4.199 4.002 0.197 1
1 1412 . 9 1 1 A 106 106 GLU C C 105 177.398 178.082 -0.684 1
1 1413 . 9 1 1 A 106 106 GLU CA C 105 59.413 60.006 -0.593 1
1 1414 . 9 1 1 A 106 106 GLU CB C 105 29.983 29.583 0.400 1
1 1416 . 9 1 1 A 106 106 GLU N N 105 125.197 120.838 4.359 1
1 1417 . 9 1 1 A 107 107 ASP H H 106 9.873 7.824 2.049 1
1 1418 . 9 1 1 A 107 107 ASP HA H 106 4.211 4.219 -0.008 1
1 1421 . 9 1 1 A 107 107 ASP C C 106 175.775 176.750 -0.975 1
1 1422 . 9 1 1 A 107 107 ASP CA C 106 54.698 54.968 -0.270 1
1 1423 . 9 1 1 A 107 107 ASP CB C 106 40.187 41.317 -1.130 1
1 1424 . 9 1 1 A 107 107 ASP N N 106 118.717 116.884 1.833 1
1 1425 . 9 1 1 A 108 108 GLY H H 107 7.971 8.086 -0.115 1
1 1426 . 9 1 1 A 108 108 GLY HA2 H 107 3.431 3.892 -0.461 1
1 1427 . 9 1 1 A 108 108 GLY HA3 H 107 4.526 3.944 0.582 1
1 1428 . 9 1 1 A 108 108 GLY C C 107 175.138 174.253 0.885 1
1 1429 . 9 1 1 A 108 108 GLY CA C 107 45.029 45.527 -0.498 1
1 1430 . 9 1 1 A 108 108 GLY N N 107 105.017 108.836 -3.819 1
1 1431 . 9 1 1 A 109 109 PHE H H 108 9.799 7.860 1.939 1
1 1432 . 9 1 1 A 109 109 PHE HA H 108 4.607 4.746 -0.139 1
1 1440 . 9 1 1 A 109 109 PHE C C 108 175.171 175.200 -0.029 1
1 1441 . 9 1 1 A 109 109 PHE CA C 108 60.222 57.364 2.858 1
1 1442 . 9 1 1 A 109 109 PHE CB C 108 40.433 41.345 -0.912 1
1 1446 . 9 1 1 A 109 109 PHE N N 108 123.309 118.504 4.805 1
1 1447 . 9 1 1 A 110 110 LEU H H 109 8.061 8.639 -0.578 1
1 1448 . 9 1 1 A 110 110 LEU HA H 109 5.022 4.516 0.506 1
1 1458 . 9 1 1 A 110 110 LEU C C 109 174.033 175.945 -1.912 1
1 1459 . 9 1 1 A 110 110 LEU CA C 109 53.539 55.058 -1.519 1
1 1460 . 9 1 1 A 110 110 LEU CB C 109 45.284 42.550 2.734 1
1 1464 . 9 1 1 A 110 110 LEU N N 109 119.999 125.243 -5.244 1
1 1465 . 9 1 1 A 111 111 TYR H H 110 9.363 9.319 0.044 1
1 1466 . 9 1 1 A 111 111 TYR HA H 110 4.906 5.105 -0.199 1
1 1473 . 9 1 1 A 111 111 TYR C C 110 176.538 174.985 1.553 1
1 1474 . 9 1 1 A 111 111 TYR CA C 110 59.335 56.695 2.640 1
1 1475 . 9 1 1 A 111 111 TYR CB C 110 39.485 39.758 -0.273 1
1 1478 . 9 1 1 A 111 111 TYR N N 110 126.322 124.069 2.253 1
1 1479 . 9 1 1 A 112 112 MET H H 111 9.496 8.455 1.041 1
1 1480 . 9 1 1 A 112 112 MET HA H 111 5.522 5.195 0.327 1
1 1488 . 9 1 1 A 112 112 MET C C 111 175.676 174.234 1.442 1
1 1489 . 9 1 1 A 112 112 MET CA C 111 54.216 54.426 -0.210 1
1 1490 . 9 1 1 A 112 112 MET CB C 111 36.821 37.240 -0.419 1
1 1493 . 9 1 1 A 112 112 MET N N 111 119.003 123.660 -4.657 1
1 1494 . 9 1 1 A 113 113 VAL H H 112 8.749 8.697 0.052 1
1 1495 . 9 1 1 A 113 113 VAL HA H 112 5.967 5.017 0.950 1
1 1503 . 9 1 1 A 113 113 VAL C C 112 174.893 175.004 -0.111 1
1 1504 . 9 1 1 A 113 113 VAL CA C 112 58.896 61.190 -2.294 1
1 1505 . 9 1 1 A 113 113 VAL CB C 112 36.149 34.340 1.809 1
1 1508 . 9 1 1 A 113 113 VAL N N 112 119.658 121.759 -2.101 1
1 1509 . 9 1 1 A 114 114 TYR H H 113 8.210 8.547 -0.337 1
1 1510 . 9 1 1 A 114 114 TYR HA H 113 6.141 6.083 0.058 1
1 1517 . 9 1 1 A 114 114 TYR C C 113 173.353 173.637 -0.284 1
1 1518 . 9 1 1 A 114 114 TYR CA C 113 54.161 54.930 -0.769 1
1 1519 . 9 1 1 A 114 114 TYR CB C 113 43.538 42.233 1.305 1
1 1522 . 9 1 1 A 114 114 TYR N N 113 118.947 122.417 -3.470 1
1 1523 . 9 1 1 A 115 115 ALA H H 114 8.483 8.790 -0.307 1
1 1524 . 9 1 1 A 115 115 ALA HA H 114 4.762 4.691 0.071 1
1 1528 . 9 1 1 A 115 115 ALA C C 114 176.033 177.307 -1.274 1
1 1529 . 9 1 1 A 115 115 ALA CA C 114 51.223 51.188 0.035 1
1 1530 . 9 1 1 A 115 115 ALA CB C 114 24.521 22.741 1.780 1
1 1531 . 9 1 1 A 115 115 ALA N N 114 119.557 121.482 -1.925 1
1 1532 . 9 1 1 A 116 116 SER H H 115 9.835 8.613 1.222 1
1 1533 . 9 1 1 A 116 116 SER HA H 115 4.497 5.125 -0.628 1
1 1536 . 9 1 1 A 116 116 SER C C 115 172.664 173.823 -1.159 1
1 1537 . 9 1 1 A 116 116 SER CA C 115 58.669 57.988 0.681 1
1 1538 . 9 1 1 A 116 116 SER CB C 115 63.570 63.671 -0.101 1
1 1539 . 9 1 1 A 116 116 SER N N 115 114.435 114.597 -0.162 1
1 1540 . 9 1 1 A 117 117 GLN H H 116 7.180 7.563 -0.383 1
1 1541 . 9 1 1 A 117 117 GLN HA H 116 4.460 4.974 -0.514 1
1 1548 . 9 1 1 A 117 117 GLN C C 116 172.901 175.160 -2.259 1
1 1549 . 9 1 1 A 117 117 GLN CA C 116 53.974 55.388 -1.414 1
1 1550 . 9 1 1 A 117 117 GLN CB C 116 32.192 32.435 -0.243 1
1 1553 . 9 1 1 A 117 117 GLN N N 116 116.449 120.666 -4.217 1
1 1555 . 9 1 1 A 118 118 GLU H H 117 7.878 8.783 -0.905 1
1 1556 . 9 1 1 A 118 118 GLU HA H 117 3.259 4.651 -1.392 1
1 1561 . 9 1 1 A 118 118 GLU C C 117 175.233 176.800 -1.567 1
1 1562 . 9 1 1 A 118 118 GLU CA C 117 56.890 56.143 0.747 1
1 1563 . 9 1 1 A 118 118 GLU CB C 117 30.325 30.245 0.080 1
1 1565 . 9 1 1 A 118 118 GLU N N 117 117.687 123.470 -5.783 1
1 1566 . 9 1 1 A 119 119 THR H H 118 6.968 7.680 -0.712 1
1 1567 . 9 1 1 A 119 119 THR HA H 118 4.082 4.514 -0.432 1
1 1572 . 9 1 1 A 119 119 THR C C 118 173.134 174.847 -1.713 1
1 1573 . 9 1 1 A 119 119 THR CA C 118 60.123 59.792 0.331 1
1 1574 . 9 1 1 A 119 119 THR CB C 118 70.147 68.490 1.657 1
1 1576 . 9 1 1 A 119 119 THR N N 118 109.548 108.239 1.309 1
1 1577 . 9 1 1 A 120 120 PHE H H 119 8.138 7.586 0.552 1
1 1578 . 9 1 1 A 120 120 PHE HA H 119 4.436 4.463 -0.027 1
1 1586 . 9 1 1 A 120 120 PHE C C 119 174.902 177.039 -2.137 1
1 1587 . 9 1 1 A 120 120 PHE CA C 119 56.750 57.616 -0.866 1
1 1588 . 9 1 1 A 120 120 PHE CB C 119 39.411 39.403 0.008 1
1 1592 . 9 1 1 A 120 120 PHE N N 119 121.777 121.182 0.595 1
1 1607 . 9 2 2 B 2 2 SER H H 332 8.471 8.730 -0.259 1
1 1608 . 9 2 2 B 2 2 SER HA H 332 4.484 4.144 0.340 1
1 1611 . 9 2 2 B 2 2 SER C C 332 174.962 174.710 0.252 1
1 1612 . 9 2 2 B 2 2 SER CA C 332 88.436 60.819 27.617 1
1 1613 . 9 2 2 B 2 2 SER CB C 332 93.927 63.421 30.506 1
1 1614 . 9 2 2 B 2 2 SER N N 332 147.261 116.988 30.273 1
1 1615 . 9 2 2 B 3 3 GLY H H 333 8.601 7.471 1.130 1
1 1616 . 9 2 2 B 3 3 GLY HA2 H 333 4.022 4.130 -0.108 1
1 1617 . 9 2 2 B 3 3 GLY HA3 H 333 4.022 4.130 -0.108 1
1 1618 . 9 2 2 B 3 3 GLY C C 333 174.774 173.389 1.385 1
1 1619 . 9 2 2 B 3 3 GLY CA C 333 75.465 45.622 29.843 1
1 1620 . 9 2 2 B 3 3 GLY N N 333 141.077 107.401 33.676 1
1 1621 . 9 2 2 B 4 4 GLY H H 334 8.372 8.127 0.245 1
1 1622 . 9 2 2 B 4 4 GLY HA2 H 334 3.980 4.166 -0.186 1
1 1623 . 9 2 2 B 4 4 GLY HA3 H 334 3.980 4.168 -0.188 1
1 1624 . 9 2 2 B 4 4 GLY C C 334 174.758 171.981 2.777 1
1 1625 . 9 2 2 B 4 4 GLY CA C 334 75.674 45.087 30.587 1
1 1626 . 9 2 2 B 4 4 GLY N N 334 138.894 109.305 29.589 1
1 1627 . 9 2 2 B 5 5 ASP H H 335 8.429 8.599 -0.170 1
1 1628 . 9 2 2 B 5 5 ASP HA H 335 4.610 5.026 -0.416 1
1 1631 . 9 2 2 B 5 5 ASP CA C 335 85.066 52.858 32.208 1
1 1632 . 9 2 2 B 5 5 ASP CB C 335 71.191 39.841 31.350 1
1 1633 . 9 2 2 B 5 5 ASP N N 335 149.637 120.285 29.352 1
1 1634 . 9 2 2 B 6 6 ASP H H 336 8.244 8.374 -0.130 1
1 1635 . 9 2 2 B 6 6 ASP HA H 336 4.559 4.324 0.235 1
1 1638 . 9 2 2 B 6 6 ASP C C 336 175.432 175.643 -0.211 1
1 1639 . 9 2 2 B 6 6 ASP CA C 336 84.708 57.912 26.796 1
1 1640 . 9 2 2 B 6 6 ASP CB C 336 71.552 41.330 30.222 1
1 1641 . 9 2 2 B 6 6 ASP N N 336 148.885 125.512 23.373 1
1 1642 . 9 2 2 B 7 7 ASP H H 337 7.803 7.898 -0.095 1
1 1643 . 9 2 2 B 7 7 ASP HA H 337 4.655 4.899 -0.244 1
1 1646 . 9 2 2 B 7 7 ASP C C 337 175.362 176.313 -0.951 1
1 1647 . 9 2 2 B 7 7 ASP CA C 337 83.670 52.525 31.145 1
1 1648 . 9 2 2 B 7 7 ASP CB C 337 71.933 43.810 28.123 1
1 1649 . 9 2 2 B 7 7 ASP N N 337 149.563 113.507 36.056 1
1 1650 . 9 2 2 B 8 8 TRP H H 338 8.472 8.453 0.019 1
1 1651 . 9 2 2 B 8 8 TRP HA H 338 4.174 4.344 -0.170 1
1 1660 . 9 2 2 B 8 8 TRP C C 338 175.959 176.056 -0.097 1
1 1661 . 9 2 2 B 8 8 TRP CA C 338 87.020 59.746 27.274 1
1 1662 . 9 2 2 B 8 8 TRP CB C 338 61.223 29.637 31.586 1
1 1668 . 9 2 2 B 8 8 TRP N N 338 150.172 124.036 26.136 1
1 1670 . 9 2 2 B 9 9 THR H H 339 7.994 7.589 0.405 1
1 1671 . 9 2 2 B 9 9 THR HA H 339 4.533 4.168 0.365 1
1 1676 . 9 2 2 B 9 9 THR C C 339 174.035 172.026 2.009 1
1 1677 . 9 2 2 B 9 9 THR CA C 339 92.659 60.124 32.535 1
1 1678 . 9 2 2 B 9 9 THR CB C 339 99.436 69.580 29.856 1
1 1680 . 9 2 2 B 9 9 THR N N 339 149.503 109.850 39.653 1
1 1681 . 9 2 2 B 10 10 HIS H H 340 9.463 8.515 0.948 1
1 1682 . 9 2 2 B 10 10 HIS HA H 340 4.677 5.036 -0.359 1
1 1687 . 9 2 2 B 10 10 HIS C C 340 175.606 174.224 1.382 1
1 1688 . 9 2 2 B 10 10 HIS CA C 340 87.024 54.539 32.485 1
1 1689 . 9 2 2 B 10 10 HIS CB C 340 61.368 31.958 29.410 1
1 1692 . 9 2 2 B 10 10 HIS N N 340 159.135 119.768 39.367 1
1 1693 . 9 2 2 B 11 11 LEU H H 341 8.398 9.080 -0.682 1
1 1694 . 9 2 2 B 11 11 LEU HA H 341 4.848 4.729 0.119 1
1 1704 . 9 2 2 B 11 11 LEU C C 341 175.919 175.909 0.010 1
1 1705 . 9 2 2 B 11 11 LEU CA C 341 83.684 54.288 29.396 1
1 1706 . 9 2 2 B 11 11 LEU CB C 341 73.601 40.636 32.965 1
1 1710 . 9 2 2 B 11 11 LEU N N 341 153.300 126.183 27.117 1
1 1711 . 9 2 2 B 12 12 SER H H 342 8.382 8.653 -0.271 1
1 1712 . 9 2 2 B 12 12 SER HA H 342 4.652 4.765 -0.113 1
1 1715 . 9 2 2 B 12 12 SER C C 342 174.263 175.268 -1.005 1
1 1716 . 9 2 2 B 12 12 SER CA C 342 86.841 58.420 28.421 1
1 1717 . 9 2 2 B 12 12 SER CB C 342 95.113 63.856 31.257 1
1 1718 . 9 2 2 B 12 12 SER N N 342 144.018 122.316 21.702 1
1 1719 . 9 2 2 B 13 13 SER H H 343 8.937 9.016 -0.079 1
1 1720 . 9 2 2 B 13 13 SER HA H 343 4.291 4.439 -0.148 1
1 1723 . 9 2 2 B 13 13 SER C C 343 174.652 175.487 -0.835 1
1 1724 . 9 2 2 B 13 13 SER CA C 343 89.546 60.344 29.202 1
1 1725 . 9 2 2 B 13 13 SER CB C 343 93.470 63.143 30.327 1
1 1726 . 9 2 2 B 13 13 SER N N 343 148.575 119.400 29.175 1
1 1727 . 9 2 2 B 14 14 LYS H H 344 8.250 8.525 -0.275 1
1 1728 . 9 2 2 B 14 14 LYS HA H 344 4.319 4.115 0.204 1
1 1737 . 9 2 2 B 14 14 LYS C C 344 176.699 177.905 -1.206 1
1 1738 . 9 2 2 B 14 14 LYS CA C 344 86.716 58.935 27.781 1
1 1739 . 9 2 2 B 14 14 LYS CB C 344 62.831 32.515 30.316 1
1 1743 . 9 2 2 B 14 14 LYS N N 344 151.908 121.932 29.976 1
1 1744 . 9 2 2 B 15 15 GLU H H 345 8.256 7.865 0.391 1
1 1745 . 9 2 2 B 15 15 GLU HA H 345 4.240 4.309 -0.069 1
1 1750 . 9 2 2 B 15 15 GLU C C 345 176.152 176.310 -0.158 1
1 1751 . 9 2 2 B 15 15 GLU CA C 345 87.152 57.668 29.484 1
1 1752 . 9 2 2 B 15 15 GLU CB C 345 60.176 29.644 30.532 1
1 1754 . 9 2 2 B 15 15 GLU N N 345 150.679 118.017 32.662 1
1 1755 . 9 2 2 B 16 16 VAL H H 346 7.762 7.258 0.504 1
1 1756 . 9 2 2 B 16 16 VAL HA H 346 4.161 4.513 -0.352 1
1 1764 . 9 2 2 B 16 16 VAL C C 346 174.646 174.312 0.334 1
1 1765 . 9 2 2 B 16 16 VAL CA C 346 91.707 59.918 31.789 1
1 1766 . 9 2 2 B 16 16 VAL CB C 346 63.107 34.064 29.043 1
1 1769 . 9 2 2 B 16 16 VAL N N 346 146.718 114.573 32.145 1
1 9 . 10 1 1 A 2 2 MET H H 1 8.414 8.094 0.320 1
1 10 . 10 1 1 A 2 2 MET HA H 1 4.826 4.534 0.292 1
1 18 . 10 1 1 A 2 2 MET CA C 1 53.382 55.088 -1.706 1
1 19 . 10 1 1 A 2 2 MET CB C 1 32.478 32.135 0.343 1
1 22 . 10 1 1 A 2 2 MET N N 1 122.882 119.608 3.274 1
1 23 . 10 1 1 A 3 3 PRO HA H 2 4.425 4.338 0.087 1
1 30 . 10 1 1 A 3 3 PRO C C 2 176.847 177.101 -0.254 1
1 31 . 10 1 1 A 3 3 PRO CA C 2 63.386 65.492 -2.106 1
1 32 . 10 1 1 A 3 3 PRO CB C 2 32.077 31.584 0.493 1
1 35 . 10 1 1 A 4 4 SER H H 3 8.347 7.787 0.560 1
1 36 . 10 1 1 A 4 4 SER HA H 3 4.391 4.363 0.028 1
1 39 . 10 1 1 A 4 4 SER C C 3 174.643 173.871 0.772 1
1 40 . 10 1 1 A 4 4 SER CA C 3 58.336 58.833 -0.497 1
1 41 . 10 1 1 A 4 4 SER CB C 3 63.798 63.440 0.358 1
1 42 . 10 1 1 A 4 4 SER N N 3 115.234 113.450 1.784 1
1 43 . 10 1 1 A 5 5 GLU H H 4 8.472 8.866 -0.394 1
1 44 . 10 1 1 A 5 5 GLU HA H 4 4.297 4.862 -0.565 1
1 49 . 10 1 1 A 5 5 GLU C C 4 176.352 175.332 1.020 1
1 50 . 10 1 1 A 5 5 GLU CA C 4 56.572 54.262 2.310 1
1 51 . 10 1 1 A 5 5 GLU CB C 4 30.285 33.260 -2.975 1
1 53 . 10 1 1 A 5 5 GLU N N 4 123.045 122.094 0.951 1
1 54 . 10 1 1 A 6 6 LYS H H 5 8.214 8.264 -0.050 1
1 55 . 10 1 1 A 6 6 LYS HA H 5 4.500 4.434 0.066 1
1 64 . 10 1 1 A 6 6 LYS C C 5 177.243 175.807 1.436 1
1 65 . 10 1 1 A 6 6 LYS CA C 5 55.943 56.426 -0.483 1
1 66 . 10 1 1 A 6 6 LYS CB C 5 34.621 33.511 1.110 1
1 70 . 10 1 1 A 6 6 LYS N N 5 121.467 121.410 0.057 1
1 71 . 10 1 1 A 7 7 THR H H 6 8.431 8.288 0.143 1
1 72 . 10 1 1 A 7 7 THR HA H 6 4.383 4.986 -0.603 1
1 77 . 10 1 1 A 7 7 THR C C 6 175.360 175.981 -0.621 1
1 78 . 10 1 1 A 7 7 THR CA C 6 61.124 59.102 2.022 1
1 79 . 10 1 1 A 7 7 THR CB C 6 69.863 71.711 -1.848 1
1 81 . 10 1 1 A 7 7 THR N N 6 114.691 111.237 3.454 1
1 82 . 10 1 1 A 8 8 PHE H H 7 10.194 9.515 0.679 1
1 83 . 10 1 1 A 8 8 PHE HA H 7 3.904 4.261 -0.357 1
1 88 . 10 1 1 A 8 8 PHE C C 7 177.000 177.792 -0.792 1
1 89 . 10 1 1 A 8 8 PHE CA C 7 63.388 60.879 2.509 1
1 90 . 10 1 1 A 8 8 PHE CB C 7 39.586 38.865 0.721 1
1 92 . 10 1 1 A 8 8 PHE N N 7 124.861 123.082 1.779 1
1 93 . 10 1 1 A 9 9 LYS H H 8 8.707 8.365 0.342 1
1 94 . 10 1 1 A 9 9 LYS HA H 8 3.761 4.245 -0.484 1
1 103 . 10 1 1 A 9 9 LYS C C 8 177.496 178.962 -1.466 1
1 104 . 10 1 1 A 9 9 LYS CA C 8 59.945 59.391 0.554 1
1 105 . 10 1 1 A 9 9 LYS CB C 8 33.870 31.986 1.884 1
1 109 . 10 1 1 A 9 9 LYS N N 8 114.189 117.649 -3.460 1
1 110 . 10 1 1 A 10 10 GLN H H 9 7.284 8.134 -0.850 1
1 111 . 10 1 1 A 10 10 GLN HA H 9 4.113 4.140 -0.027 1
1 118 . 10 1 1 A 10 10 GLN C C 9 177.416 178.164 -0.748 1
1 119 . 10 1 1 A 10 10 GLN CA C 9 56.743 58.361 -1.618 1
1 120 . 10 1 1 A 10 10 GLN CB C 9 30.002 29.021 0.981 1
1 123 . 10 1 1 A 10 10 GLN N N 9 112.843 119.068 -6.225 1
1 125 . 10 1 1 A 11 11 ARG H H 10 7.889 8.423 -0.534 1
1 126 . 10 1 1 A 11 11 ARG HA H 10 4.255 3.969 0.286 1
1 133 . 10 1 1 A 11 11 ARG C C 10 175.059 176.646 -1.587 1
1 134 . 10 1 1 A 11 11 ARG CA C 10 57.018 59.599 -2.581 1
1 135 . 10 1 1 A 11 11 ARG CB C 10 31.628 30.328 1.300 1
1 138 . 10 1 1 A 11 11 ARG N N 10 117.567 120.906 -3.339 1
1 139 . 10 1 1 A 12 12 ARG H H 11 7.443 7.832 -0.389 1
1 140 . 10 1 1 A 12 12 ARG HA H 11 4.493 4.377 0.116 1
1 147 . 10 1 1 A 12 12 ARG CA C 11 54.172 56.657 -2.485 1
1 148 . 10 1 1 A 12 12 ARG CB C 11 32.857 30.681 2.176 1
1 151 . 10 1 1 A 12 12 ARG N N 11 122.786 120.142 2.644 1
1 152 . 10 1 1 A 13 13 SER HA H 12 4.403 4.496 -0.093 1
1 155 . 10 1 1 A 13 13 SER C C 12 174.222 175.477 -1.255 1
1 156 . 10 1 1 A 13 13 SER CA C 12 58.274 60.299 -2.025 1
1 157 . 10 1 1 A 13 13 SER CB C 12 64.821 63.304 1.517 1
1 158 . 10 1 1 A 14 14 PHE H H 13 9.239 9.148 0.091 1
1 159 . 10 1 1 A 14 14 PHE HA H 13 4.035 4.131 -0.096 1
1 165 . 10 1 1 A 14 14 PHE C C 13 176.023 176.865 -0.842 1
1 166 . 10 1 1 A 14 14 PHE CA C 13 62.790 62.749 0.041 1
1 167 . 10 1 1 A 14 14 PHE CB C 13 39.580 39.881 -0.301 1
1 169 . 10 1 1 A 14 14 PHE N N 13 123.729 127.078 -3.349 1
1 170 . 10 1 1 A 15 15 GLU H H 14 9.093 8.572 0.521 1
1 171 . 10 1 1 A 15 15 GLU HA H 14 3.813 3.898 -0.085 1
1 176 . 10 1 1 A 15 15 GLU C C 14 179.549 178.751 0.798 1
1 177 . 10 1 1 A 15 15 GLU CA C 14 60.444 60.189 0.255 1
1 178 . 10 1 1 A 15 15 GLU CB C 14 28.804 29.372 -0.568 1
1 180 . 10 1 1 A 15 15 GLU N N 14 115.336 117.633 -2.297 1
1 181 . 10 1 1 A 16 16 GLN H H 15 7.752 8.306 -0.554 1
1 182 . 10 1 1 A 16 16 GLN HA H 15 4.044 4.156 -0.112 1
1 189 . 10 1 1 A 16 16 GLN C C 15 177.931 178.052 -0.121 1
1 190 . 10 1 1 A 16 16 GLN CA C 15 58.486 59.011 -0.525 1
1 191 . 10 1 1 A 16 16 GLN CB C 15 29.393 28.569 0.824 1
1 194 . 10 1 1 A 16 16 GLN N N 15 119.145 119.660 -0.515 1
1 196 . 10 1 1 A 17 17 ARG H H 16 8.577 8.440 0.137 1
1 197 . 10 1 1 A 17 17 ARG HA H 16 4.280 4.265 0.015 1
1 202 . 10 1 1 A 17 17 ARG C C 16 177.128 179.254 -2.126 1
1 203 . 10 1 1 A 17 17 ARG CA C 16 61.442 58.832 2.610 1
1 204 . 10 1 1 A 17 17 ARG N N 16 121.288 120.336 0.952 1
1 205 . 10 1 1 A 18 18 VAL H H 17 8.329 7.810 0.519 1
1 206 . 10 1 1 A 18 18 VAL HA H 17 3.938 3.537 0.401 1
1 214 . 10 1 1 A 18 18 VAL C C 17 179.744 177.908 1.836 1
1 215 . 10 1 1 A 18 18 VAL CA C 17 65.441 66.103 -0.662 1
1 216 . 10 1 1 A 18 18 VAL CB C 17 32.080 31.625 0.455 1
1 219 . 10 1 1 A 18 18 VAL N N 17 116.752 120.068 -3.316 1
1 220 . 10 1 1 A 19 19 GLU H H 18 7.445 8.201 -0.756 1
1 221 . 10 1 1 A 19 19 GLU HA H 18 4.270 4.061 0.209 1
1 226 . 10 1 1 A 19 19 GLU C C 18 177.625 178.160 -0.535 1
1 227 . 10 1 1 A 19 19 GLU CA C 18 58.637 59.084 -0.447 1
1 228 . 10 1 1 A 19 19 GLU CB C 18 29.398 28.908 0.490 1
1 230 . 10 1 1 A 19 19 GLU N N 18 120.323 120.048 0.275 1
1 231 . 10 1 1 A 20 20 ASP H H 19 8.690 8.158 0.532 1
1 232 . 10 1 1 A 20 20 ASP HA H 19 4.514 4.345 0.169 1
1 235 . 10 1 1 A 20 20 ASP C C 19 179.877 178.006 1.871 1
1 236 . 10 1 1 A 20 20 ASP CA C 19 57.224 57.537 -0.313 1
1 237 . 10 1 1 A 20 20 ASP CB C 19 41.487 41.546 -0.059 1
1 238 . 10 1 1 A 20 20 ASP N N 19 120.313 120.561 -0.248 1
1 239 . 10 1 1 A 21 21 VAL H H 20 7.731 8.109 -0.378 1
1 240 . 10 1 1 A 21 21 VAL HA H 20 3.394 3.289 0.105 1
1 248 . 10 1 1 A 21 21 VAL C C 20 176.989 178.028 -1.039 1
1 249 . 10 1 1 A 21 21 VAL CA C 20 65.989 64.999 0.990 1
1 250 . 10 1 1 A 21 21 VAL CB C 20 31.291 30.829 0.462 1
1 253 . 10 1 1 A 21 21 VAL N N 20 119.119 118.295 0.824 1
1 254 . 10 1 1 A 22 22 ARG H H 21 8.313 8.071 0.242 1
1 255 . 10 1 1 A 22 22 ARG HA H 21 3.825 3.954 -0.129 1
1 263 . 10 1 1 A 22 22 ARG C C 21 180.178 178.743 1.435 1
1 264 . 10 1 1 A 22 22 ARG CA C 21 59.821 59.236 0.585 1
1 265 . 10 1 1 A 22 22 ARG CB C 21 30.164 29.920 0.244 1
1 269 . 10 1 1 A 22 22 ARG N N 21 120.772 121.599 -0.827 1
1 271 . 10 1 1 A 23 23 LEU H H 22 8.306 8.131 0.175 1
1 272 . 10 1 1 A 23 23 LEU HA H 22 4.076 3.933 0.143 1
1 282 . 10 1 1 A 23 23 LEU C C 22 180.221 178.897 1.324 1
1 283 . 10 1 1 A 23 23 LEU CA C 22 57.541 58.089 -0.548 1
1 284 . 10 1 1 A 23 23 LEU CB C 22 42.300 41.682 0.618 1
1 288 . 10 1 1 A 23 23 LEU N N 22 116.413 119.248 -2.835 1
1 289 . 10 1 1 A 24 24 ILE H H 23 7.864 7.759 0.105 1
1 290 . 10 1 1 A 24 24 ILE HA H 23 4.090 3.860 0.230 1
1 300 . 10 1 1 A 24 24 ILE C C 23 177.922 178.368 -0.446 1
1 301 . 10 1 1 A 24 24 ILE CA C 23 60.190 64.217 -4.027 1
1 302 . 10 1 1 A 24 24 ILE CB C 23 38.072 37.248 0.824 1
1 306 . 10 1 1 A 24 24 ILE N N 23 121.259 117.718 3.541 1
1 307 . 10 1 1 A 25 25 ARG H H 24 8.339 8.403 -0.064 1
1 308 . 10 1 1 A 25 25 ARG HA H 24 3.973 4.024 -0.051 1
1 316 . 10 1 1 A 25 25 ARG C C 24 178.479 178.028 0.451 1
1 317 . 10 1 1 A 25 25 ARG CA C 24 57.337 59.189 -1.852 1
1 318 . 10 1 1 A 25 25 ARG CB C 24 28.663 30.183 -1.520 1
1 322 . 10 1 1 A 25 25 ARG N N 24 121.816 121.513 0.303 1
1 324 . 10 1 1 A 26 26 GLU H H 25 7.133 8.312 -1.179 1
1 325 . 10 1 1 A 26 26 GLU HA H 25 4.052 4.263 -0.211 1
1 330 . 10 1 1 A 26 26 GLU C C 25 178.158 177.369 0.789 1
1 331 . 10 1 1 A 26 26 GLU CA C 25 58.367 57.330 1.037 1
1 332 . 10 1 1 A 26 26 GLU CB C 25 29.903 29.944 -0.041 1
1 334 . 10 1 1 A 26 26 GLU N N 25 116.794 117.167 -0.373 1
1 335 . 10 1 1 A 27 27 GLN H H 26 7.283 8.241 -0.958 1
1 336 . 10 1 1 A 27 27 GLN HA H 26 3.888 4.408 -0.520 1
1 343 . 10 1 1 A 27 27 GLN C C 26 176.088 176.196 -0.108 1
1 344 . 10 1 1 A 27 27 GLN CA C 26 57.676 57.051 0.625 1
1 345 . 10 1 1 A 27 27 GLN CB C 26 30.382 30.859 -0.477 1
1 348 . 10 1 1 A 27 27 GLN N N 26 116.373 117.940 -1.567 1
1 350 . 10 1 1 A 28 28 HIS H H 27 8.223 8.522 -0.299 1
1 351 . 10 1 1 A 28 28 HIS HA H 27 4.941 5.113 -0.172 1
1 356 . 10 1 1 A 28 28 HIS CA C 27 53.278 53.214 0.064 1
1 357 . 10 1 1 A 28 28 HIS CB C 27 30.933 29.715 1.218 1
1 360 . 10 1 1 A 28 28 HIS N N 27 115.408 116.534 -1.126 1
1 361 . 10 1 1 A 29 29 PRO HA H 28 4.562 4.367 0.195 1
1 368 . 10 1 1 A 29 29 PRO C C 28 178.046 177.731 0.315 1
1 369 . 10 1 1 A 29 29 PRO CA C 28 64.821 64.402 0.419 1
1 370 . 10 1 1 A 29 29 PRO CB C 28 32.447 31.929 0.518 1
1 373 . 10 1 1 A 30 30 THR H H 29 7.820 7.775 0.045 1
1 374 . 10 1 1 A 30 30 THR HA H 29 4.583 4.355 0.228 1
1 379 . 10 1 1 A 30 30 THR C C 29 172.723 173.321 -0.598 1
1 380 . 10 1 1 A 30 30 THR CA C 29 60.826 61.982 -1.156 1
1 381 . 10 1 1 A 30 30 THR CB C 29 68.641 69.167 -0.526 1
1 383 . 10 1 1 A 30 30 THR N N 29 106.682 107.935 -1.253 1
1 384 . 10 1 1 A 31 31 LYS H H 30 7.453 7.142 0.311 1
1 385 . 10 1 1 A 31 31 LYS HA H 30 4.850 4.820 0.030 1
1 394 . 10 1 1 A 31 31 LYS C C 30 174.296 174.950 -0.654 1
1 395 . 10 1 1 A 31 31 LYS CA C 30 53.944 54.687 -0.743 1
1 396 . 10 1 1 A 31 31 LYS CB C 30 36.098 37.305 -1.207 1
1 400 . 10 1 1 A 31 31 LYS N N 30 117.809 120.342 -2.533 1
1 401 . 10 1 1 A 32 32 ILE H H 31 9.265 9.366 -0.101 1
1 402 . 10 1 1 A 32 32 ILE HA H 31 4.106 4.113 -0.007 1
1 412 . 10 1 1 A 32 32 ILE CA C 31 54.606 57.483 -2.877 1
1 413 . 10 1 1 A 32 32 ILE CB C 31 38.448 39.256 -0.808 1
1 417 . 10 1 1 A 32 32 ILE N N 31 122.497 121.988 0.509 1
1 418 . 10 1 1 A 33 33 PRO HA H 32 5.252 4.922 0.330 1
1 425 . 10 1 1 A 33 33 PRO C C 32 174.652 176.746 -2.094 1
1 426 . 10 1 1 A 33 33 PRO CA C 32 61.704 62.489 -0.785 1
1 427 . 10 1 1 A 33 33 PRO CB C 32 31.873 31.950 -0.077 1
1 430 . 10 1 1 A 34 34 VAL H H 33 9.359 8.329 1.030 1
1 431 . 10 1 1 A 34 34 VAL HA H 33 5.298 5.184 0.114 1
1 439 . 10 1 1 A 34 34 VAL C C 33 173.633 174.722 -1.089 1
1 440 . 10 1 1 A 34 34 VAL CA C 33 59.830 59.638 0.192 1
1 441 . 10 1 1 A 34 34 VAL CB C 33 36.154 36.446 -0.292 1
1 444 . 10 1 1 A 34 34 VAL N N 33 124.496 116.699 7.797 1
1 445 . 10 1 1 A 35 35 ILE H H 34 8.667 8.995 -0.328 1
1 446 . 10 1 1 A 35 35 ILE HA H 34 4.867 4.893 -0.026 1
1 456 . 10 1 1 A 35 35 ILE C C 34 175.770 174.278 1.492 1
1 457 . 10 1 1 A 35 35 ILE CA C 34 56.320 59.891 -3.571 1
1 458 . 10 1 1 A 35 35 ILE CB C 34 36.909 39.756 -2.847 1
1 462 . 10 1 1 A 35 35 ILE N N 34 127.447 121.764 5.683 1
1 463 . 10 1 1 A 36 36 ILE H H 35 8.422 9.342 -0.920 1
1 464 . 10 1 1 A 36 36 ILE HA H 35 4.890 4.910 -0.020 1
1 474 . 10 1 1 A 36 36 ILE C C 35 175.098 174.729 0.369 1
1 475 . 10 1 1 A 36 36 ILE CA C 35 60.806 59.295 1.511 1
1 476 . 10 1 1 A 36 36 ILE CB C 35 39.357 39.676 -0.319 1
1 480 . 10 1 1 A 36 36 ILE N N 35 124.267 129.513 -5.246 1
1 481 . 10 1 1 A 37 37 GLU H H 36 8.335 8.695 -0.360 1
1 482 . 10 1 1 A 37 37 GLU HA H 36 4.820 4.999 -0.179 1
1 487 . 10 1 1 A 37 37 GLU C C 36 173.502 175.097 -1.595 1
1 488 . 10 1 1 A 37 37 GLU CA C 36 54.214 54.501 -0.287 1
1 489 . 10 1 1 A 37 37 GLU CB C 36 35.547 33.021 2.526 1
1 491 . 10 1 1 A 37 37 GLU N N 36 123.296 124.043 -0.747 1
1 492 . 10 1 1 A 38 38 ARG H H 37 8.891 8.350 0.541 1
1 493 . 10 1 1 A 38 38 ARG HA H 37 2.755 3.364 -0.609 1
1 501 . 10 1 1 A 38 38 ARG C C 37 176.165 175.346 0.819 1
1 502 . 10 1 1 A 38 38 ARG CA C 37 56.235 55.973 0.262 1
1 503 . 10 1 1 A 38 38 ARG CB C 37 31.328 30.223 1.105 1
1 507 . 10 1 1 A 38 38 ARG N N 37 123.143 120.619 2.524 1
1 509 . 10 1 1 A 39 39 TYR H H 38 8.681 7.949 0.732 1
1 510 . 10 1 1 A 39 39 TYR HA H 38 4.331 4.628 -0.297 1
1 517 . 10 1 1 A 39 39 TYR C C 38 177.064 175.763 1.301 1
1 518 . 10 1 1 A 39 39 TYR CA C 38 57.769 58.903 -1.134 1
1 519 . 10 1 1 A 39 39 TYR CB C 38 39.552 39.403 0.149 1
1 522 . 10 1 1 A 39 39 TYR N N 38 128.699 122.402 6.297 1
1 523 . 10 1 1 A 40 40 LYS H H 39 8.454 8.225 0.229 1
1 524 . 10 1 1 A 40 40 LYS HA H 39 3.841 3.747 0.094 1
1 533 . 10 1 1 A 40 40 LYS C C 39 176.290 177.117 -0.827 1
1 534 . 10 1 1 A 40 40 LYS CA C 39 58.772 57.962 0.810 1
1 535 . 10 1 1 A 40 40 LYS CB C 39 31.738 31.345 0.393 1
1 539 . 10 1 1 A 40 40 LYS N N 39 130.022 125.850 4.172 1
1 540 . 10 1 1 A 41 41 GLY H H 40 5.457 8.694 -3.237 1
1 541 . 10 1 1 A 41 41 GLY HA2 H 40 3.306 4.072 -0.766 1
1 542 . 10 1 1 A 41 41 GLY HA3 H 40 3.999 4.180 -0.181 1
1 543 . 10 1 1 A 41 41 GLY C C 40 173.426 174.118 -0.692 1
1 544 . 10 1 1 A 41 41 GLY CA C 40 44.673 45.356 -0.683 1
1 545 . 10 1 1 A 41 41 GLY N N 40 104.628 113.026 -8.398 1
1 546 . 10 1 1 A 42 42 GLU H H 41 7.440 8.359 -0.919 1
1 547 . 10 1 1 A 42 42 GLU HA H 41 4.278 4.685 -0.407 1
1 552 . 10 1 1 A 42 42 GLU C C 41 176.306 176.563 -0.257 1
1 553 . 10 1 1 A 42 42 GLU CA C 41 56.358 55.198 1.160 1
1 554 . 10 1 1 A 42 42 GLU CB C 41 31.014 30.680 0.334 1
1 556 . 10 1 1 A 42 42 GLU N N 41 122.648 120.704 1.944 1
1 557 . 10 1 1 A 43 43 LYS H H 42 8.912 8.475 0.437 1
1 558 . 10 1 1 A 43 43 LYS HA H 42 4.680 4.619 0.061 1
1 567 . 10 1 1 A 43 43 LYS C C 42 177.063 178.463 -1.400 1
1 568 . 10 1 1 A 43 43 LYS CA C 42 55.652 57.113 -1.461 1
1 569 . 10 1 1 A 43 43 LYS CB C 42 34.871 33.935 0.936 1
1 573 . 10 1 1 A 43 43 LYS N N 42 123.569 123.358 0.211 1
1 574 . 10 1 1 A 44 44 GLN H H 43 8.446 8.152 0.294 1
1 575 . 10 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1
1 582 . 10 1 1 A 44 44 GLN C C 43 177.152 177.152 0.000 1
1 583 . 10 1 1 A 44 44 GLN CA C 43 57.561 59.136 -1.575 1
1 584 . 10 1 1 A 44 44 GLN CB C 43 30.671 28.643 2.028 1
1 587 . 10 1 1 A 44 44 GLN N N 43 118.990 118.756 0.234 1
1 589 . 10 1 1 A 45 45 LEU H H 44 9.043 8.433 0.610 1
1 590 . 10 1 1 A 45 45 LEU HA H 44 4.716 4.467 0.249 1
1 600 . 10 1 1 A 45 45 LEU CA C 44 53.078 53.986 -0.908 1
1 601 . 10 1 1 A 45 45 LEU CB C 44 43.614 41.238 2.376 1
1 605 . 10 1 1 A 45 45 LEU N N 44 120.375 120.323 0.052 1
1 606 . 10 1 1 A 46 46 PRO HA H 45 4.723 4.642 0.081 1
1 613 . 10 1 1 A 46 46 PRO C C 45 175.883 176.478 -0.595 1
1 614 . 10 1 1 A 46 46 PRO CA C 45 62.005 62.273 -0.268 1
1 615 . 10 1 1 A 46 46 PRO CB C 45 32.609 32.395 0.214 1
1 618 . 10 1 1 A 47 47 VAL H H 46 8.437 8.485 -0.048 1
1 619 . 10 1 1 A 47 47 VAL HA H 46 3.914 4.306 -0.392 1
1 627 . 10 1 1 A 47 47 VAL C C 46 175.367 176.255 -0.888 1
1 628 . 10 1 1 A 47 47 VAL CA C 46 62.700 62.462 0.238 1
1 629 . 10 1 1 A 47 47 VAL CB C 46 32.927 31.953 0.974 1
1 632 . 10 1 1 A 47 47 VAL N N 46 118.440 121.516 -3.076 1
1 633 . 10 1 1 A 48 48 LEU H H 47 7.863 8.743 -0.880 1
1 634 . 10 1 1 A 48 48 LEU HA H 47 4.384 4.227 0.157 1
1 644 . 10 1 1 A 48 48 LEU C C 47 176.088 177.668 -1.580 1
1 645 . 10 1 1 A 48 48 LEU CA C 47 54.851 55.779 -0.928 1
1 646 . 10 1 1 A 48 48 LEU CB C 47 43.841 43.501 0.340 1
1 650 . 10 1 1 A 48 48 LEU N N 47 129.127 128.451 0.676 1
1 651 . 10 1 1 A 49 49 ASP H H 48 8.699 8.861 -0.162 1
1 652 . 10 1 1 A 49 49 ASP HA H 48 4.293 4.278 0.015 1
1 655 . 10 1 1 A 49 49 ASP C C 48 175.121 175.790 -0.669 1
1 656 . 10 1 1 A 49 49 ASP CA C 48 55.717 57.689 -1.972 1
1 657 . 10 1 1 A 49 49 ASP CB C 48 40.260 40.815 -0.555 1
1 658 . 10 1 1 A 49 49 ASP N N 48 121.389 126.996 -5.607 1
1 659 . 10 1 1 A 50 50 LYS H H 49 7.251 7.396 -0.145 1
1 660 . 10 1 1 A 50 50 LYS HA H 49 4.540 4.584 -0.044 1
1 669 . 10 1 1 A 50 50 LYS C C 49 174.664 175.381 -0.717 1
1 670 . 10 1 1 A 50 50 LYS CA C 49 53.211 55.125 -1.914 1
1 671 . 10 1 1 A 50 50 LYS CB C 49 35.514 34.544 0.970 1
1 675 . 10 1 1 A 50 50 LYS N N 49 118.260 113.043 5.217 1
1 676 . 10 1 1 A 51 51 THR H H 50 8.162 8.196 -0.034 1
1 677 . 10 1 1 A 51 51 THR HA H 50 4.685 5.213 -0.528 1
1 682 . 10 1 1 A 51 51 THR C C 50 171.631 173.801 -2.170 1
1 683 . 10 1 1 A 51 51 THR CA C 50 63.581 61.881 1.700 1
1 684 . 10 1 1 A 51 51 THR CB C 50 71.587 70.051 1.536 1
1 686 . 10 1 1 A 51 51 THR N N 50 112.535 112.638 -0.103 1
1 687 . 10 1 1 A 52 52 LYS H H 51 6.971 7.523 -0.552 1
1 688 . 10 1 1 A 52 52 LYS HA H 51 4.443 5.046 -0.603 1
1 697 . 10 1 1 A 52 52 LYS C C 51 175.417 175.354 0.063 1
1 698 . 10 1 1 A 52 52 LYS CA C 51 55.209 54.698 0.511 1
1 699 . 10 1 1 A 52 52 LYS CB C 51 33.309 35.196 -1.887 1
1 703 . 10 1 1 A 52 52 LYS N N 51 120.227 120.122 0.105 1
1 704 . 10 1 1 A 53 53 PHE H H 52 9.688 9.031 0.657 1
1 705 . 10 1 1 A 53 53 PHE HA H 52 5.675 5.076 0.599 1
1 712 . 10 1 1 A 53 53 PHE C C 52 174.348 174.935 -0.587 1
1 713 . 10 1 1 A 53 53 PHE CA C 52 56.625 56.588 0.037 1
1 714 . 10 1 1 A 53 53 PHE CB C 52 43.109 43.810 -0.701 1
1 716 . 10 1 1 A 53 53 PHE N N 52 124.646 121.606 3.040 1
1 717 . 10 1 1 A 54 54 LEU H H 53 8.470 9.133 -0.663 1
1 718 . 10 1 1 A 54 54 LEU HA H 53 5.044 4.841 0.203 1
1 728 . 10 1 1 A 54 54 LEU C C 53 176.144 175.838 0.306 1
1 729 . 10 1 1 A 54 54 LEU CA C 53 52.954 53.481 -0.527 1
1 730 . 10 1 1 A 54 54 LEU CB C 53 45.081 42.945 2.136 1
1 734 . 10 1 1 A 54 54 LEU N N 53 119.430 122.685 -3.255 1
1 735 . 10 1 1 A 55 55 VAL H H 54 8.802 8.736 0.066 1
1 736 . 10 1 1 A 55 55 VAL HA H 54 4.640 4.534 0.106 1
1 744 . 10 1 1 A 55 55 VAL CA C 54 58.549 59.560 -1.011 1
1 745 . 10 1 1 A 55 55 VAL CB C 54 35.342 31.948 3.394 1
1 748 . 10 1 1 A 55 55 VAL N N 54 123.841 126.006 -2.165 1
1 749 . 10 1 1 A 56 56 PRO HA H 55 4.439 4.877 -0.438 1
1 756 . 10 1 1 A 56 56 PRO C C 55 176.666 176.812 -0.146 1
1 757 . 10 1 1 A 56 56 PRO CA C 55 64.256 62.497 1.759 1
1 758 . 10 1 1 A 56 56 PRO CB C 55 32.783 31.953 0.830 1
1 761 . 10 1 1 A 57 57 ASP H H 56 8.412 7.991 0.421 1
1 762 . 10 1 1 A 57 57 ASP HA H 56 3.848 4.569 -0.721 1
1 765 . 10 1 1 A 57 57 ASP C C 56 175.417 176.706 -1.289 1
1 766 . 10 1 1 A 57 57 ASP CA C 56 56.616 54.147 2.469 1
1 767 . 10 1 1 A 57 57 ASP CB C 56 40.410 39.765 0.645 1
1 768 . 10 1 1 A 57 57 ASP N N 56 120.415 123.053 -2.638 1
1 769 . 10 1 1 A 58 58 HIS H H 57 7.373 8.254 -0.881 1
1 770 . 10 1 1 A 58 58 HIS HA H 57 4.770 4.825 -0.055 1
1 775 . 10 1 1 A 58 58 HIS C C 57 176.594 174.115 2.479 1
1 776 . 10 1 1 A 58 58 HIS CA C 57 55.584 54.964 0.620 1
1 777 . 10 1 1 A 58 58 HIS CB C 57 30.628 30.961 -0.333 1
1 780 . 10 1 1 A 58 58 HIS N N 57 113.439 114.208 -0.769 1
1 781 . 10 1 1 A 59 59 VAL H H 58 7.249 7.568 -0.319 1
1 782 . 10 1 1 A 59 59 VAL HA H 58 3.903 4.678 -0.775 1
1 790 . 10 1 1 A 59 59 VAL C C 58 175.014 173.525 1.489 1
1 791 . 10 1 1 A 59 59 VAL CA C 58 62.726 59.175 3.551 1
1 792 . 10 1 1 A 59 59 VAL CB C 58 32.190 35.598 -3.408 1
1 795 . 10 1 1 A 59 59 VAL N N 58 122.597 115.605 6.992 1
1 796 . 10 1 1 A 60 60 ASN H H 59 8.677 8.366 0.311 1
1 797 . 10 1 1 A 60 60 ASN HA H 59 5.187 5.176 0.011 1
1 802 . 10 1 1 A 60 60 ASN C C 59 176.477 176.710 -0.233 1
1 803 . 10 1 1 A 60 60 ASN CA C 59 51.181 51.185 -0.004 1
1 804 . 10 1 1 A 60 60 ASN CB C 59 39.947 41.465 -1.518 1
1 806 . 10 1 1 A 60 60 ASN N N 59 122.962 117.809 5.153 1
1 808 . 10 1 1 A 61 61 MET H H 60 8.038 8.961 -0.923 1
1 809 . 10 1 1 A 61 61 MET HA H 60 4.426 4.216 0.210 1
1 817 . 10 1 1 A 61 61 MET C C 60 177.996 178.407 -0.411 1
1 818 . 10 1 1 A 61 61 MET CA C 60 57.118 58.101 -0.983 1
1 819 . 10 1 1 A 61 61 MET CB C 60 29.998 32.143 -2.145 1
1 822 . 10 1 1 A 61 61 MET N N 60 116.814 119.850 -3.036 1
1 823 . 10 1 1 A 62 62 SER H H 61 8.401 8.151 0.250 1
1 824 . 10 1 1 A 62 62 SER HA H 61 4.132 4.131 0.001 1
1 827 . 10 1 1 A 62 62 SER C C 61 177.255 177.342 -0.087 1
1 828 . 10 1 1 A 62 62 SER CA C 61 61.559 61.429 0.130 1
1 829 . 10 1 1 A 62 62 SER CB C 61 62.430 63.044 -0.614 1
1 830 . 10 1 1 A 62 62 SER N N 61 114.109 116.880 -2.771 1
1 831 . 10 1 1 A 63 63 GLU H H 62 8.014 8.267 -0.253 1
1 832 . 10 1 1 A 63 63 GLU HA H 62 4.016 4.088 -0.072 1
1 837 . 10 1 1 A 63 63 GLU C C 62 178.327 178.973 -0.646 1
1 838 . 10 1 1 A 63 63 GLU CA C 62 58.787 59.290 -0.503 1
1 839 . 10 1 1 A 63 63 GLU CB C 62 29.814 29.262 0.552 1
1 841 . 10 1 1 A 63 63 GLU N N 62 122.806 121.869 0.937 1
1 842 . 10 1 1 A 64 64 LEU H H 63 8.254 8.097 0.157 1
1 843 . 10 1 1 A 64 64 LEU HA H 63 3.932 4.049 -0.117 1
1 853 . 10 1 1 A 64 64 LEU C C 63 178.029 178.463 -0.434 1
1 854 . 10 1 1 A 64 64 LEU CA C 63 57.986 57.868 0.118 1
1 855 . 10 1 1 A 64 64 LEU CB C 63 41.377 41.767 -0.390 1
1 859 . 10 1 1 A 64 64 LEU N N 63 120.526 121.711 -1.185 1
1 860 . 10 1 1 A 65 65 ILE H H 64 8.415 7.800 0.615 1
1 861 . 10 1 1 A 65 65 ILE HA H 64 3.377 3.768 -0.391 1
1 871 . 10 1 1 A 65 65 ILE C C 64 177.078 178.476 -1.398 1
1 872 . 10 1 1 A 65 65 ILE CA C 64 66.699 65.313 1.386 1
1 873 . 10 1 1 A 65 65 ILE CB C 64 38.128 37.590 0.538 1
1 877 . 10 1 1 A 65 65 ILE N N 64 118.349 119.566 -1.217 1
1 878 . 10 1 1 A 66 66 LYS H H 65 7.366 8.406 -1.040 1
1 879 . 10 1 1 A 66 66 LYS HA H 65 3.696 4.079 -0.383 1
1 888 . 10 1 1 A 66 66 LYS C C 65 179.260 179.377 -0.117 1
1 889 . 10 1 1 A 66 66 LYS CA C 65 60.593 59.376 1.217 1
1 890 . 10 1 1 A 66 66 LYS CB C 65 32.421 32.477 -0.056 1
1 894 . 10 1 1 A 66 66 LYS N N 65 118.334 120.116 -1.782 1
1 895 . 10 1 1 A 67 67 ILE H H 66 8.179 8.445 -0.266 1
1 896 . 10 1 1 A 67 67 ILE HA H 66 3.546 3.718 -0.172 1
1 906 . 10 1 1 A 67 67 ILE C C 66 178.784 178.741 0.043 1
1 907 . 10 1 1 A 67 67 ILE CA C 66 65.488 64.850 0.638 1
1 908 . 10 1 1 A 67 67 ILE CB C 66 38.593 37.024 1.569 1
1 912 . 10 1 1 A 67 67 ILE N N 66 119.791 120.603 -0.812 1
1 913 . 10 1 1 A 68 68 ILE H H 67 8.279 8.045 0.234 1
1 914 . 10 1 1 A 68 68 ILE HA H 67 3.391 3.435 -0.044 1
1 924 . 10 1 1 A 68 68 ILE C C 67 177.403 177.583 -0.180 1
1 925 . 10 1 1 A 68 68 ILE CA C 67 63.144 64.688 -1.544 1
1 926 . 10 1 1 A 68 68 ILE CB C 67 35.269 37.440 -2.171 1
1 930 . 10 1 1 A 68 68 ILE N N 67 120.267 122.058 -1.791 1
1 931 . 10 1 1 A 69 69 ARG H H 68 8.454 7.515 0.939 1
1 932 . 10 1 1 A 69 69 ARG HA H 68 2.966 3.171 -0.205 1
1 939 . 10 1 1 A 69 69 ARG C C 68 178.385 177.952 0.433 1
1 940 . 10 1 1 A 69 69 ARG CA C 68 60.642 58.261 2.381 1
1 941 . 10 1 1 A 69 69 ARG CB C 68 30.442 29.508 0.934 1
1 944 . 10 1 1 A 69 69 ARG N N 68 118.881 119.981 -1.100 1
1 945 . 10 1 1 A 70 70 ARG H H 69 7.492 7.877 -0.385 1
1 946 . 10 1 1 A 70 70 ARG HA H 69 4.164 4.011 0.153 1
1 954 . 10 1 1 A 70 70 ARG C C 69 180.253 179.007 1.246 1
1 955 . 10 1 1 A 70 70 ARG CA C 69 58.510 59.599 -1.089 1
1 956 . 10 1 1 A 70 70 ARG CB C 69 29.587 30.067 -0.480 1
1 960 . 10 1 1 A 70 70 ARG N N 69 116.411 118.889 -2.478 1
1 962 . 10 1 1 A 71 71 ARG H H 70 8.086 8.059 0.027 1
1 963 . 10 1 1 A 71 71 ARG HA H 70 4.025 4.010 0.015 1
1 970 . 10 1 1 A 71 71 ARG C C 70 178.558 178.735 -0.177 1
1 971 . 10 1 1 A 71 71 ARG CA C 70 59.428 58.679 0.749 1
1 972 . 10 1 1 A 71 71 ARG CB C 70 30.235 29.804 0.431 1
1 975 . 10 1 1 A 71 71 ARG N N 70 122.779 119.465 3.314 1
1 976 . 10 1 1 A 72 72 LEU H H 71 7.755 7.356 0.399 1
1 977 . 10 1 1 A 72 72 LEU HA H 71 4.081 4.038 0.043 1
1 987 . 10 1 1 A 72 72 LEU C C 71 174.852 176.578 -1.726 1
1 988 . 10 1 1 A 72 72 LEU CA C 71 55.060 56.168 -1.108 1
1 989 . 10 1 1 A 72 72 LEU CB C 71 43.109 41.338 1.771 1
1 993 . 10 1 1 A 72 72 LEU N N 71 116.551 119.031 -2.480 1
1 994 . 10 1 1 A 73 73 GLN H H 72 7.740 7.782 -0.042 1
1 995 . 10 1 1 A 73 73 GLN HA H 72 3.853 3.937 -0.084 1
1 1002 . 10 1 1 A 73 73 GLN C C 72 175.619 174.862 0.757 1
1 1003 . 10 1 1 A 73 73 GLN CA C 72 56.273 56.530 -0.257 1
1 1004 . 10 1 1 A 73 73 GLN CB C 72 25.939 26.472 -0.533 1
1 1007 . 10 1 1 A 73 73 GLN N N 72 114.737 117.856 -3.119 1
1 1009 . 10 1 1 A 74 74 LEU H H 73 7.525 7.930 -0.405 1
1 1010 . 10 1 1 A 74 74 LEU HA H 73 4.242 4.426 -0.184 1
1 1020 . 10 1 1 A 74 74 LEU C C 73 178.611 175.517 3.094 1
1 1021 . 10 1 1 A 74 74 LEU CA C 73 54.382 54.322 0.060 1
1 1022 . 10 1 1 A 74 74 LEU CB C 73 41.995 42.018 -0.023 1
1 1026 . 10 1 1 A 74 74 LEU N N 73 114.861 120.468 -5.607 1
1 1027 . 10 1 1 A 75 75 ASN H H 74 8.970 8.753 0.217 1
1 1028 . 10 1 1 A 75 75 ASN HA H 74 4.694 5.092 -0.398 1
1 1033 . 10 1 1 A 75 75 ASN C C 74 176.527 175.600 0.927 1
1 1034 . 10 1 1 A 75 75 ASN CA C 74 52.686 51.072 1.614 1
1 1035 . 10 1 1 A 75 75 ASN CB C 74 39.583 41.519 -1.936 1
1 1037 . 10 1 1 A 75 75 ASN N N 74 121.274 117.041 4.233 1
1 1039 . 10 1 1 A 76 76 ALA H H 75 8.697 8.643 0.054 1
1 1040 . 10 1 1 A 76 76 ALA HA H 75 3.966 4.041 -0.075 1
1 1044 . 10 1 1 A 76 76 ALA C C 75 178.002 179.751 -1.749 1
1 1045 . 10 1 1 A 76 76 ALA CA C 75 54.797 55.553 -0.756 1
1 1046 . 10 1 1 A 76 76 ALA CB C 75 18.669 18.084 0.585 1
1 1047 . 10 1 1 A 76 76 ALA N N 75 123.590 120.694 2.896 1
1 1048 . 10 1 1 A 77 77 ASN H H 76 8.344 8.194 0.150 1
1 1049 . 10 1 1 A 77 77 ASN HA H 76 4.585 4.455 0.130 1
1 1054 . 10 1 1 A 77 77 ASN C C 76 175.371 176.167 -0.796 1
1 1055 . 10 1 1 A 77 77 ASN CA C 76 53.183 56.653 -3.470 1
1 1056 . 10 1 1 A 77 77 ASN CB C 76 38.277 38.383 -0.106 1
1 1058 . 10 1 1 A 77 77 ASN N N 76 112.004 116.433 -4.429 1
1 1060 . 10 1 1 A 78 78 GLN H H 77 7.532 7.592 -0.060 1
1 1061 . 10 1 1 A 78 78 GLN HA H 77 4.281 4.659 -0.378 1
1 1068 . 10 1 1 A 78 78 GLN C C 77 175.001 174.773 0.228 1
1 1069 . 10 1 1 A 78 78 GLN CA C 77 55.875 55.667 0.208 1
1 1070 . 10 1 1 A 78 78 GLN CB C 77 30.227 30.228 -0.001 1
1 1073 . 10 1 1 A 78 78 GLN N N 77 120.237 118.832 1.405 1
1 1075 . 10 1 1 A 79 79 ALA H H 78 8.732 8.749 -0.017 1
1 1076 . 10 1 1 A 79 79 ALA HA H 78 4.183 5.406 -1.223 1
1 1080 . 10 1 1 A 79 79 ALA C C 78 176.367 175.524 0.843 1
1 1081 . 10 1 1 A 79 79 ALA CA C 78 52.798 50.199 2.599 1
1 1082 . 10 1 1 A 79 79 ALA CB C 78 20.051 21.455 -1.404 1
1 1083 . 10 1 1 A 79 79 ALA N N 78 130.399 128.772 1.627 1
1 1084 . 10 1 1 A 80 80 PHE H H 79 7.603 8.903 -1.300 1
1 1085 . 10 1 1 A 80 80 PHE HA H 79 4.449 5.274 -0.825 1
1 1093 . 10 1 1 A 80 80 PHE C C 79 171.709 173.358 -1.649 1
1 1094 . 10 1 1 A 80 80 PHE CA C 79 59.101 56.325 2.776 1
1 1095 . 10 1 1 A 80 80 PHE CB C 79 42.282 42.389 -0.107 1
1 1099 . 10 1 1 A 80 80 PHE N N 79 118.988 124.729 -5.741 1
1 1100 . 10 1 1 A 81 81 PHE H H 80 8.507 9.079 -0.572 1
1 1101 . 10 1 1 A 81 81 PHE HA H 80 4.421 4.428 -0.007 1
1 1109 . 10 1 1 A 81 81 PHE C C 80 172.644 173.878 -1.234 1
1 1110 . 10 1 1 A 81 81 PHE CA C 80 56.711 55.869 0.842 1
1 1111 . 10 1 1 A 81 81 PHE CB C 80 41.880 42.296 -0.416 1
1 1115 . 10 1 1 A 81 81 PHE N N 80 126.042 125.137 0.905 1
1 1116 . 10 1 1 A 82 82 LEU H H 81 8.199 8.508 -0.309 1
1 1117 . 10 1 1 A 82 82 LEU HA H 81 4.883 5.049 -0.166 1
1 1127 . 10 1 1 A 82 82 LEU C C 81 174.440 174.602 -0.162 1
1 1128 . 10 1 1 A 82 82 LEU CA C 81 53.153 54.188 -1.035 1
1 1129 . 10 1 1 A 82 82 LEU CB C 81 45.520 44.643 0.877 1
1 1133 . 10 1 1 A 82 82 LEU N N 81 121.512 125.433 -3.921 1
1 1134 . 10 1 1 A 83 83 LEU H H 82 9.349 9.596 -0.247 1
1 1135 . 10 1 1 A 83 83 LEU HA H 82 4.810 4.908 -0.098 1
1 1145 . 10 1 1 A 83 83 LEU C C 82 177.075 175.965 1.110 1
1 1146 . 10 1 1 A 83 83 LEU CA C 82 54.122 53.941 0.181 1
1 1147 . 10 1 1 A 83 83 LEU CB C 82 43.394 43.153 0.241 1
1 1151 . 10 1 1 A 83 83 LEU N N 82 125.253 126.626 -1.373 1
1 1152 . 10 1 1 A 84 84 VAL H H 83 8.681 8.683 -0.002 1
1 1153 . 10 1 1 A 84 84 VAL HA H 83 4.411 3.687 0.724 1
1 1161 . 10 1 1 A 84 84 VAL C C 83 175.797 176.258 -0.461 1
1 1162 . 10 1 1 A 84 84 VAL CA C 83 61.630 62.954 -1.324 1
1 1163 . 10 1 1 A 84 84 VAL CB C 83 33.647 31.085 2.562 1
1 1166 . 10 1 1 A 84 84 VAL N N 83 123.543 125.851 -2.308 1
1 1167 . 10 1 1 A 85 85 ASN H H 84 9.622 9.672 -0.050 1
1 1168 . 10 1 1 A 85 85 ASN HA H 84 4.399 4.381 0.018 1
1 1173 . 10 1 1 A 85 85 ASN C C 84 175.042 175.048 -0.006 1
1 1174 . 10 1 1 A 85 85 ASN CA C 84 54.610 54.266 0.344 1
1 1175 . 10 1 1 A 85 85 ASN CB C 84 37.927 36.878 1.049 1
1 1177 . 10 1 1 A 85 85 ASN N N 84 125.848 127.208 -1.360 1
1 1179 . 10 1 1 A 86 86 GLY H H 85 8.551 8.312 0.239 1
1 1180 . 10 1 1 A 86 86 GLY HA2 H 85 3.368 3.780 -0.412 1
1 1181 . 10 1 1 A 86 86 GLY HA3 H 85 4.064 3.811 0.253 1
1 1182 . 10 1 1 A 86 86 GLY C C 85 173.524 173.595 -0.071 1
1 1183 . 10 1 1 A 86 86 GLY CA C 85 45.588 45.332 0.256 1
1 1184 . 10 1 1 A 86 86 GLY N N 85 101.093 104.036 -2.943 1
1 1185 . 10 1 1 A 87 87 HIS H H 86 7.906 7.266 0.640 1
1 1186 . 10 1 1 A 87 87 HIS HA H 86 5.003 5.198 -0.195 1
1 1191 . 10 1 1 A 87 87 HIS C C 86 173.910 174.339 -0.429 1
1 1192 . 10 1 1 A 87 87 HIS CA C 86 54.213 53.785 0.428 1
1 1193 . 10 1 1 A 87 87 HIS CB C 86 31.482 32.915 -1.433 1
1 1196 . 10 1 1 A 87 87 HIS N N 86 117.253 115.337 1.916 1
1 1197 . 10 1 1 A 88 88 SER H H 87 8.846 9.023 -0.177 1
1 1198 . 10 1 1 A 88 88 SER HA H 87 4.702 4.506 0.196 1
1 1201 . 10 1 1 A 88 88 SER C C 87 175.739 175.462 0.277 1
1 1202 . 10 1 1 A 88 88 SER CA C 87 58.245 58.180 0.065 1
1 1203 . 10 1 1 A 88 88 SER CB C 87 63.764 65.010 -1.246 1
1 1204 . 10 1 1 A 88 88 SER N N 87 117.469 115.073 2.396 1
1 1205 . 10 1 1 A 89 89 MET H H 88 9.174 8.540 0.634 1
1 1206 . 10 1 1 A 89 89 MET HA H 88 4.820 4.869 -0.049 1
1 1214 . 10 1 1 A 89 89 MET C C 88 176.294 176.447 -0.153 1
1 1215 . 10 1 1 A 89 89 MET CA C 88 54.853 54.453 0.400 1
1 1216 . 10 1 1 A 89 89 MET CB C 88 33.183 32.848 0.335 1
1 1219 . 10 1 1 A 89 89 MET N N 88 125.111 117.732 7.379 1
1 1220 . 10 1 1 A 90 90 VAL H H 89 8.217 7.421 0.796 1
1 1221 . 10 1 1 A 90 90 VAL HA H 89 4.063 3.779 0.284 1
1 1229 . 10 1 1 A 90 90 VAL C C 89 176.249 176.972 -0.723 1
1 1230 . 10 1 1 A 90 90 VAL CA C 89 63.377 63.743 -0.366 1
1 1231 . 10 1 1 A 90 90 VAL CB C 89 32.473 31.610 0.863 1
1 1234 . 10 1 1 A 90 90 VAL N N 89 120.477 122.090 -1.613 1
1 1235 . 10 1 1 A 91 91 SER H H 90 8.356 8.931 -0.575 1
1 1236 . 10 1 1 A 91 91 SER HA H 90 4.614 4.191 0.423 1
1 1239 . 10 1 1 A 91 91 SER C C 90 175.841 174.850 0.991 1
1 1240 . 10 1 1 A 91 91 SER CA C 90 57.860 59.149 -1.289 1
1 1241 . 10 1 1 A 91 91 SER CB C 90 63.398 62.313 1.085 1
1 1242 . 10 1 1 A 91 91 SER N N 90 116.676 124.514 -7.838 1
1 1243 . 10 1 1 A 92 92 VAL H H 91 8.158 7.851 0.307 1
1 1244 . 10 1 1 A 92 92 VAL HA H 91 4.245 3.641 0.604 1
1 1252 . 10 1 1 A 92 92 VAL C C 91 175.856 175.997 -0.141 1
1 1253 . 10 1 1 A 92 92 VAL CA C 91 63.121 66.091 -2.970 1
1 1254 . 10 1 1 A 92 92 VAL CB C 91 31.872 31.741 0.131 1
1 1257 . 10 1 1 A 92 92 VAL N N 91 119.994 121.435 -1.441 1
1 1258 . 10 1 1 A 93 93 SER H H 92 8.368 8.037 0.331 1
1 1259 . 10 1 1 A 93 93 SER HA H 92 4.581 4.180 0.401 1
1 1262 . 10 1 1 A 93 93 SER C C 92 174.154 173.122 1.032 1
1 1263 . 10 1 1 A 93 93 SER CA C 92 57.706 59.166 -1.460 1
1 1264 . 10 1 1 A 93 93 SER CB C 92 63.126 61.391 1.735 1
1 1265 . 10 1 1 A 93 93 SER N N 92 116.504 115.575 0.929 1
1 1266 . 10 1 1 A 94 94 THR H H 93 7.427 7.686 -0.259 1
1 1267 . 10 1 1 A 94 94 THR HA H 93 4.464 4.814 -0.350 1
1 1272 . 10 1 1 A 94 94 THR CA C 93 61.032 59.416 1.616 1
1 1273 . 10 1 1 A 94 94 THR CB C 93 70.505 72.699 -2.194 1
1 1275 . 10 1 1 A 94 94 THR N N 93 119.172 114.909 4.263 1
1 1276 . 10 1 1 A 95 95 PRO HA H 94 4.426 4.815 -0.389 1
1 1283 . 10 1 1 A 95 95 PRO C C 94 178.692 178.049 0.643 1
1 1284 . 10 1 1 A 95 95 PRO CA C 94 62.921 62.700 0.221 1
1 1285 . 10 1 1 A 95 95 PRO CB C 94 32.774 32.280 0.494 1
1 1288 . 10 1 1 A 96 96 ILE H H 95 9.324 9.068 0.256 1
1 1289 . 10 1 1 A 96 96 ILE HA H 95 3.956 3.991 -0.035 1
1 1299 . 10 1 1 A 96 96 ILE C C 95 176.415 176.925 -0.510 1
1 1300 . 10 1 1 A 96 96 ILE CA C 95 63.880 63.485 0.395 1
1 1301 . 10 1 1 A 96 96 ILE CB C 95 38.055 38.042 0.013 1
1 1305 . 10 1 1 A 96 96 ILE N N 95 123.862 125.761 -1.899 1
1 1306 . 10 1 1 A 97 97 SER H H 96 8.211 8.351 -0.140 1
1 1307 . 10 1 1 A 97 97 SER HA H 96 3.978 4.134 -0.156 1
1 1310 . 10 1 1 A 97 97 SER C C 96 176.494 177.315 -0.821 1
1 1311 . 10 1 1 A 97 97 SER CA C 96 61.576 61.578 -0.002 1
1 1312 . 10 1 1 A 97 97 SER CB C 96 61.262 62.458 -1.196 1
1 1313 . 10 1 1 A 97 97 SER N N 96 116.529 117.348 -0.819 1
1 1314 . 10 1 1 A 98 98 GLU H H 97 7.329 7.907 -0.578 1
1 1315 . 10 1 1 A 98 98 GLU HA H 97 4.290 4.263 0.027 1
1 1320 . 10 1 1 A 98 98 GLU C C 97 179.288 178.915 0.373 1
1 1321 . 10 1 1 A 98 98 GLU CA C 97 58.705 59.212 -0.507 1
1 1322 . 10 1 1 A 98 98 GLU CB C 97 29.791 30.191 -0.400 1
1 1324 . 10 1 1 A 98 98 GLU N N 97 122.955 122.787 0.168 1
1 1325 . 10 1 1 A 99 99 VAL H H 98 7.386 8.585 -1.199 1
1 1326 . 10 1 1 A 99 99 VAL HA H 98 3.815 3.811 0.004 1
1 1334 . 10 1 1 A 99 99 VAL C C 98 177.662 177.819 -0.157 1
1 1335 . 10 1 1 A 99 99 VAL CA C 98 65.774 65.882 -0.108 1
1 1336 . 10 1 1 A 99 99 VAL CB C 98 32.047 31.769 0.278 1
1 1339 . 10 1 1 A 99 99 VAL N N 98 120.888 120.748 0.140 1
1 1340 . 10 1 1 A 100 100 TYR H H 99 8.984 7.908 1.076 1
1 1341 . 10 1 1 A 100 100 TYR HA H 99 4.013 4.282 -0.269 1
1 1348 . 10 1 1 A 100 100 TYR C C 99 176.355 178.018 -1.663 1
1 1349 . 10 1 1 A 100 100 TYR CA C 99 62.118 60.928 1.190 1
1 1350 . 10 1 1 A 100 100 TYR CB C 99 38.921 38.488 0.433 1
1 1353 . 10 1 1 A 100 100 TYR N N 99 118.874 121.118 -2.244 1
1 1354 . 10 1 1 A 101 101 GLU H H 100 7.433 8.228 -0.795 1
1 1355 . 10 1 1 A 101 101 GLU HA H 100 3.833 4.111 -0.278 1
1 1360 . 10 1 1 A 101 101 GLU C C 100 177.674 176.834 0.840 1
1 1361 . 10 1 1 A 101 101 GLU CA C 100 58.895 57.751 1.144 1
1 1362 . 10 1 1 A 101 101 GLU CB C 100 29.577 29.042 0.535 1
1 1364 . 10 1 1 A 101 101 GLU N N 100 114.383 117.640 -3.257 1
1 1365 . 10 1 1 A 102 102 SER H H 101 7.423 8.027 -0.604 1
1 1366 . 10 1 1 A 102 102 SER HA H 101 4.552 4.720 -0.168 1
1 1369 . 10 1 1 A 102 102 SER C C 101 176.554 174.811 1.743 1
1 1370 . 10 1 1 A 102 102 SER CA C 101 60.200 58.432 1.768 1
1 1371 . 10 1 1 A 102 102 SER CB C 101 64.828 64.163 0.665 1
1 1372 . 10 1 1 A 102 102 SER N N 101 108.722 115.196 -6.474 1
1 1373 . 10 1 1 A 103 103 GLU H H 102 8.488 8.023 0.465 1
1 1374 . 10 1 1 A 103 103 GLU HA H 102 4.752 4.502 0.250 1
1 1379 . 10 1 1 A 103 103 GLU C C 102 176.653 176.353 0.300 1
1 1380 . 10 1 1 A 103 103 GLU CA C 102 55.464 57.314 -1.850 1
1 1381 . 10 1 1 A 103 103 GLU CB C 102 30.611 32.375 -1.764 1
1 1383 . 10 1 1 A 103 103 GLU N N 102 116.116 118.626 -2.510 1
1 1384 . 10 1 1 A 104 104 ARG H H 103 7.511 7.743 -0.232 1
1 1385 . 10 1 1 A 104 104 ARG HA H 103 4.241 4.205 0.036 1
1 1392 . 10 1 1 A 104 104 ARG C C 103 174.634 175.680 -1.046 1
1 1393 . 10 1 1 A 104 104 ARG CA C 103 56.926 56.236 0.690 1
1 1394 . 10 1 1 A 104 104 ARG CB C 103 29.713 30.108 -0.395 1
1 1397 . 10 1 1 A 104 104 ARG N N 103 117.180 118.258 -1.078 1
1 1398 . 10 1 1 A 105 105 ASP H H 104 9.069 8.877 0.192 1
1 1399 . 10 1 1 A 105 105 ASP HA H 104 4.774 5.093 -0.319 1
1 1402 . 10 1 1 A 105 105 ASP C C 104 177.460 176.938 0.522 1
1 1403 . 10 1 1 A 105 105 ASP CA C 104 53.852 52.471 1.381 1
1 1404 . 10 1 1 A 105 105 ASP CB C 104 43.424 43.436 -0.012 1
1 1405 . 10 1 1 A 105 105 ASP N N 104 123.349 122.039 1.310 1
1 1406 . 10 1 1 A 106 106 GLU H H 105 8.982 8.978 0.004 1
1 1407 . 10 1 1 A 106 106 GLU HA H 105 4.199 4.024 0.175 1
1 1412 . 10 1 1 A 106 106 GLU C C 105 177.398 178.055 -0.657 1
1 1413 . 10 1 1 A 106 106 GLU CA C 105 59.413 59.970 -0.557 1
1 1414 . 10 1 1 A 106 106 GLU CB C 105 29.983 29.588 0.395 1
1 1416 . 10 1 1 A 106 106 GLU N N 105 125.197 121.071 4.126 1
1 1417 . 10 1 1 A 107 107 ASP H H 106 9.873 8.086 1.787 1
1 1418 . 10 1 1 A 107 107 ASP HA H 106 4.211 4.026 0.185 1
1 1421 . 10 1 1 A 107 107 ASP C C 106 175.775 176.688 -0.913 1
1 1422 . 10 1 1 A 107 107 ASP CA C 106 54.698 54.943 -0.245 1
1 1423 . 10 1 1 A 107 107 ASP CB C 106 40.187 41.400 -1.213 1
1 1424 . 10 1 1 A 107 107 ASP N N 106 118.717 116.751 1.966 1
1 1425 . 10 1 1 A 108 108 GLY H H 107 7.971 8.390 -0.419 1
1 1426 . 10 1 1 A 108 108 GLY HA2 H 107 3.431 3.870 -0.439 1
1 1427 . 10 1 1 A 108 108 GLY HA3 H 107 4.526 3.897 0.629 1
1 1428 . 10 1 1 A 108 108 GLY C C 107 175.138 173.908 1.230 1
1 1429 . 10 1 1 A 108 108 GLY CA C 107 45.029 45.478 -0.449 1
1 1430 . 10 1 1 A 108 108 GLY N N 107 105.017 108.685 -3.668 1
1 1431 . 10 1 1 A 109 109 PHE H H 108 9.799 8.138 1.661 1
1 1432 . 10 1 1 A 109 109 PHE HA H 108 4.607 4.723 -0.116 1
1 1440 . 10 1 1 A 109 109 PHE C C 108 175.171 174.634 0.537 1
1 1441 . 10 1 1 A 109 109 PHE CA C 108 60.222 57.003 3.219 1
1 1442 . 10 1 1 A 109 109 PHE CB C 108 40.433 41.051 -0.618 1
1 1446 . 10 1 1 A 109 109 PHE N N 108 123.309 119.570 3.739 1
1 1447 . 10 1 1 A 110 110 LEU H H 109 8.061 9.143 -1.082 1
1 1448 . 10 1 1 A 110 110 LEU HA H 109 5.022 4.451 0.571 1
1 1458 . 10 1 1 A 110 110 LEU C C 109 174.033 175.906 -1.873 1
1 1459 . 10 1 1 A 110 110 LEU CA C 109 53.539 55.119 -1.580 1
1 1460 . 10 1 1 A 110 110 LEU CB C 109 45.284 42.339 2.945 1
1 1464 . 10 1 1 A 110 110 LEU N N 109 119.999 125.852 -5.853 1
1 1465 . 10 1 1 A 111 111 TYR H H 110 9.363 9.344 0.019 1
1 1466 . 10 1 1 A 111 111 TYR HA H 110 4.906 5.075 -0.169 1
1 1473 . 10 1 1 A 111 111 TYR C C 110 176.538 174.956 1.582 1
1 1474 . 10 1 1 A 111 111 TYR CA C 110 59.335 56.615 2.720 1
1 1475 . 10 1 1 A 111 111 TYR CB C 110 39.485 40.626 -1.141 1
1 1478 . 10 1 1 A 111 111 TYR N N 110 126.322 124.029 2.293 1
1 1479 . 10 1 1 A 112 112 MET H H 111 9.496 8.959 0.537 1
1 1480 . 10 1 1 A 112 112 MET HA H 111 5.522 5.440 0.082 1
1 1488 . 10 1 1 A 112 112 MET C C 111 175.676 174.639 1.037 1
1 1489 . 10 1 1 A 112 112 MET CA C 111 54.216 54.377 -0.161 1
1 1490 . 10 1 1 A 112 112 MET CB C 111 36.821 37.162 -0.341 1
1 1493 . 10 1 1 A 112 112 MET N N 111 119.003 121.631 -2.628 1
1 1494 . 10 1 1 A 113 113 VAL H H 112 8.749 9.193 -0.444 1
1 1495 . 10 1 1 A 113 113 VAL HA H 112 5.967 5.177 0.790 1
1 1503 . 10 1 1 A 113 113 VAL C C 112 174.893 175.136 -0.243 1
1 1504 . 10 1 1 A 113 113 VAL CA C 112 58.896 61.216 -2.320 1
1 1505 . 10 1 1 A 113 113 VAL CB C 112 36.149 34.756 1.393 1
1 1508 . 10 1 1 A 113 113 VAL N N 112 119.658 121.273 -1.615 1
1 1509 . 10 1 1 A 114 114 TYR H H 113 8.210 8.447 -0.237 1
1 1510 . 10 1 1 A 114 114 TYR HA H 113 6.141 6.184 -0.043 1
1 1517 . 10 1 1 A 114 114 TYR C C 113 173.353 174.339 -0.986 1
1 1518 . 10 1 1 A 114 114 TYR CA C 113 54.161 55.253 -1.092 1
1 1519 . 10 1 1 A 114 114 TYR CB C 113 43.538 42.154 1.384 1
1 1522 . 10 1 1 A 114 114 TYR N N 113 118.947 124.938 -5.991 1
1 1523 . 10 1 1 A 115 115 ALA H H 114 8.483 9.338 -0.855 1
1 1524 . 10 1 1 A 115 115 ALA HA H 114 4.762 4.762 0.000 1
1 1528 . 10 1 1 A 115 115 ALA C C 114 176.033 177.170 -1.137 1
1 1529 . 10 1 1 A 115 115 ALA CA C 114 51.223 51.255 -0.032 1
1 1530 . 10 1 1 A 115 115 ALA CB C 114 24.521 22.839 1.682 1
1 1531 . 10 1 1 A 115 115 ALA N N 114 119.557 121.618 -2.061 1
1 1532 . 10 1 1 A 116 116 SER H H 115 9.835 8.744 1.091 1
1 1533 . 10 1 1 A 116 116 SER HA H 115 4.497 5.018 -0.521 1
1 1536 . 10 1 1 A 116 116 SER C C 115 172.664 173.548 -0.884 1
1 1537 . 10 1 1 A 116 116 SER CA C 115 58.669 58.053 0.616 1
1 1538 . 10 1 1 A 116 116 SER CB C 115 63.570 63.617 -0.047 1
1 1539 . 10 1 1 A 116 116 SER N N 115 114.435 114.074 0.361 1
1 1540 . 10 1 1 A 117 117 GLN H H 116 7.180 7.347 -0.167 1
1 1541 . 10 1 1 A 117 117 GLN HA H 116 4.460 4.664 -0.204 1
1 1548 . 10 1 1 A 117 117 GLN C C 116 172.901 175.098 -2.197 1
1 1549 . 10 1 1 A 117 117 GLN CA C 116 53.974 54.761 -0.787 1
1 1550 . 10 1 1 A 117 117 GLN CB C 116 32.192 31.598 0.594 1
1 1553 . 10 1 1 A 117 117 GLN N N 116 116.449 119.452 -3.003 1
1 1555 . 10 1 1 A 118 118 GLU H H 117 7.878 8.341 -0.463 1
1 1556 . 10 1 1 A 118 118 GLU HA H 117 3.259 4.524 -1.265 1
1 1561 . 10 1 1 A 118 118 GLU C C 117 175.233 177.245 -2.012 1
1 1562 . 10 1 1 A 118 118 GLU CA C 117 56.890 56.069 0.821 1
1 1563 . 10 1 1 A 118 118 GLU CB C 117 30.325 30.057 0.268 1
1 1565 . 10 1 1 A 118 118 GLU N N 117 117.687 123.699 -6.012 1
1 1566 . 10 1 1 A 119 119 THR H H 118 6.968 7.521 -0.553 1
1 1567 . 10 1 1 A 119 119 THR HA H 118 4.082 4.436 -0.354 1
1 1572 . 10 1 1 A 119 119 THR C C 118 173.134 176.455 -3.321 1
1 1573 . 10 1 1 A 119 119 THR CA C 118 60.123 62.756 -2.633 1
1 1574 . 10 1 1 A 119 119 THR CB C 118 70.147 69.793 0.354 1
1 1576 . 10 1 1 A 119 119 THR N N 118 109.548 108.432 1.116 1
1 1577 . 10 1 1 A 120 120 PHE H H 119 8.138 8.228 -0.090 1
1 1578 . 10 1 1 A 120 120 PHE HA H 119 4.436 4.340 0.096 1
1 1586 . 10 1 1 A 120 120 PHE C C 119 174.902 176.980 -2.078 1
1 1587 . 10 1 1 A 120 120 PHE CA C 119 56.750 59.682 -2.932 1
1 1588 . 10 1 1 A 120 120 PHE CB C 119 39.411 39.413 -0.002 1
1 1592 . 10 1 1 A 120 120 PHE N N 119 121.777 118.862 2.915 1
1 1607 . 10 2 2 B 2 2 SER H H 332 8.471 8.548 -0.077 1
1 1608 . 10 2 2 B 2 2 SER HA H 332 4.484 4.646 -0.162 1
1 1611 . 10 2 2 B 2 2 SER C C 332 174.962 175.190 -0.228 1
1 1612 . 10 2 2 B 2 2 SER CA C 332 88.436 56.998 31.438 1
1 1613 . 10 2 2 B 2 2 SER CB C 332 93.927 63.607 30.320 1
1 1614 . 10 2 2 B 2 2 SER N N 332 147.261 115.619 31.642 1
1 1615 . 10 2 2 B 3 3 GLY H H 333 8.601 9.048 -0.447 1
1 1616 . 10 2 2 B 3 3 GLY HA2 H 333 4.022 4.199 -0.177 1
1 1617 . 10 2 2 B 3 3 GLY HA3 H 333 4.022 4.201 -0.179 1
1 1618 . 10 2 2 B 3 3 GLY C C 333 174.774 174.543 0.231 1
1 1619 . 10 2 2 B 3 3 GLY CA C 333 75.465 45.452 30.013 1
1 1620 . 10 2 2 B 3 3 GLY N N 333 141.077 115.461 25.616 1
1 1621 . 10 2 2 B 4 4 GLY H H 334 8.372 7.985 0.387 1
1 1622 . 10 2 2 B 4 4 GLY HA2 H 334 3.980 4.063 -0.083 1
1 1623 . 10 2 2 B 4 4 GLY HA3 H 334 3.980 4.068 -0.088 1
1 1624 . 10 2 2 B 4 4 GLY C C 334 174.758 174.381 0.377 1
1 1625 . 10 2 2 B 4 4 GLY CA C 334 75.674 45.017 30.657 1
1 1626 . 10 2 2 B 4 4 GLY N N 334 138.894 107.159 31.735 1
1 1627 . 10 2 2 B 5 5 ASP H H 335 8.429 8.503 -0.074 1
1 1628 . 10 2 2 B 5 5 ASP HA H 335 4.610 4.979 -0.369 1
1 1631 . 10 2 2 B 5 5 ASP CA C 335 85.066 53.221 31.845 1
1 1632 . 10 2 2 B 5 5 ASP CB C 335 71.191 39.337 31.854 1
1 1633 . 10 2 2 B 5 5 ASP N N 335 149.637 120.688 28.949 1
1 1634 . 10 2 2 B 6 6 ASP H H 336 8.244 8.104 0.140 1
1 1635 . 10 2 2 B 6 6 ASP HA H 336 4.559 4.288 0.271 1
1 1638 . 10 2 2 B 6 6 ASP C C 336 175.432 176.131 -0.699 1
1 1639 . 10 2 2 B 6 6 ASP CA C 336 84.708 57.801 26.907 1
1 1640 . 10 2 2 B 6 6 ASP CB C 336 71.552 40.960 30.592 1
1 1641 . 10 2 2 B 6 6 ASP N N 336 148.885 121.790 27.095 1
1 1642 . 10 2 2 B 7 7 ASP H H 337 7.803 7.910 -0.107 1
1 1643 . 10 2 2 B 7 7 ASP HA H 337 4.655 4.875 -0.220 1
1 1646 . 10 2 2 B 7 7 ASP C C 337 175.362 176.210 -0.848 1
1 1647 . 10 2 2 B 7 7 ASP CA C 337 83.670 52.813 30.857 1
1 1648 . 10 2 2 B 7 7 ASP CB C 337 71.933 43.259 28.674 1
1 1649 . 10 2 2 B 7 7 ASP N N 337 149.563 113.910 35.653 1
1 1650 . 10 2 2 B 8 8 TRP H H 338 8.472 8.564 -0.092 1
1 1651 . 10 2 2 B 8 8 TRP HA H 338 4.174 4.318 -0.144 1
1 1660 . 10 2 2 B 8 8 TRP C C 338 175.959 176.678 -0.719 1
1 1661 . 10 2 2 B 8 8 TRP CA C 338 87.020 59.926 27.094 1
1 1662 . 10 2 2 B 8 8 TRP CB C 338 61.223 29.714 31.509 1
1 1668 . 10 2 2 B 8 8 TRP N N 338 150.172 126.104 24.068 1
1 1670 . 10 2 2 B 9 9 THR H H 339 7.994 7.588 0.406 1
1 1671 . 10 2 2 B 9 9 THR HA H 339 4.533 4.411 0.122 1
1 1676 . 10 2 2 B 9 9 THR C C 339 174.035 172.289 1.746 1
1 1677 . 10 2 2 B 9 9 THR CA C 339 92.659 61.309 31.350 1
1 1678 . 10 2 2 B 9 9 THR CB C 339 99.436 71.598 27.838 1
1 1680 . 10 2 2 B 9 9 THR N N 339 149.503 109.697 39.806 1
1 1681 . 10 2 2 B 10 10 HIS H H 340 9.463 7.983 1.480 1
1 1682 . 10 2 2 B 10 10 HIS HA H 340 4.677 4.794 -0.117 1
1 1687 . 10 2 2 B 10 10 HIS C C 340 175.606 175.074 0.532 1
1 1688 . 10 2 2 B 10 10 HIS CA C 340 87.024 55.471 31.553 1
1 1689 . 10 2 2 B 10 10 HIS CB C 340 61.368 30.265 31.103 1
1 1692 . 10 2 2 B 10 10 HIS N N 340 159.135 125.502 33.633 1
1 1693 . 10 2 2 B 11 11 LEU H H 341 8.398 8.812 -0.414 1
1 1694 . 10 2 2 B 11 11 LEU HA H 341 4.848 4.565 0.283 1
1 1704 . 10 2 2 B 11 11 LEU C C 341 175.919 175.903 0.016 1
1 1705 . 10 2 2 B 11 11 LEU CA C 341 83.684 54.866 28.818 1
1 1706 . 10 2 2 B 11 11 LEU CB C 341 73.601 41.306 32.295 1
1 1710 . 10 2 2 B 11 11 LEU N N 341 153.300 126.662 26.638 1
1 1711 . 10 2 2 B 12 12 SER H H 342 8.382 8.911 -0.529 1
1 1712 . 10 2 2 B 12 12 SER HA H 342 4.652 5.101 -0.449 1
1 1715 . 10 2 2 B 12 12 SER C C 342 174.263 174.898 -0.635 1
1 1716 . 10 2 2 B 12 12 SER CA C 342 86.841 57.605 29.236 1
1 1717 . 10 2 2 B 12 12 SER CB C 342 95.113 64.397 30.716 1
1 1718 . 10 2 2 B 12 12 SER N N 342 144.018 123.145 20.873 1
1 1719 . 10 2 2 B 13 13 SER H H 343 8.937 9.013 -0.076 1
1 1720 . 10 2 2 B 13 13 SER HA H 343 4.291 4.579 -0.288 1
1 1723 . 10 2 2 B 13 13 SER C C 343 174.652 174.935 -0.283 1
1 1724 . 10 2 2 B 13 13 SER CA C 343 89.546 59.362 30.184 1
1 1725 . 10 2 2 B 13 13 SER CB C 343 93.470 63.389 30.081 1
1 1726 . 10 2 2 B 13 13 SER N N 343 148.575 121.002 27.573 1
1 1727 . 10 2 2 B 14 14 LYS H H 344 8.250 8.106 0.144 1
1 1728 . 10 2 2 B 14 14 LYS HA H 344 4.319 4.396 -0.077 1
1 1737 . 10 2 2 B 14 14 LYS C C 344 176.699 177.477 -0.778 1
1 1738 . 10 2 2 B 14 14 LYS CA C 344 86.716 57.348 29.368 1
1 1739 . 10 2 2 B 14 14 LYS CB C 344 62.831 33.627 29.204 1
1 1743 . 10 2 2 B 14 14 LYS N N 344 151.908 119.348 32.560 1
1 1744 . 10 2 2 B 15 15 GLU H H 345 8.256 7.687 0.569 1
1 1745 . 10 2 2 B 15 15 GLU HA H 345 4.240 4.424 -0.184 1
1 1750 . 10 2 2 B 15 15 GLU C C 345 176.152 176.192 -0.040 1
1 1751 . 10 2 2 B 15 15 GLU CA C 345 87.152 56.259 30.893 1
1 1752 . 10 2 2 B 15 15 GLU CB C 345 60.176 30.518 29.658 1
1 1754 . 10 2 2 B 15 15 GLU N N 345 150.679 118.036 32.643 1
1 1755 . 10 2 2 B 16 16 VAL H H 346 7.762 7.298 0.464 1
1 1756 . 10 2 2 B 16 16 VAL HA H 346 4.161 4.163 -0.002 1
1 1764 . 10 2 2 B 16 16 VAL C C 346 174.646 175.998 -1.352 1
1 1765 . 10 2 2 B 16 16 VAL CA C 346 91.707 60.854 30.853 1
1 1766 . 10 2 2 B 16 16 VAL CB C 346 63.107 33.889 29.218 1
1 1769 . 10 2 2 B 16 16 VAL N N 346 146.718 116.778 29.940 1
1 9 . 11 1 1 A 2 2 MET H H 1 8.414 7.446 0.968 1
1 10 . 11 1 1 A 2 2 MET HA H 1 4.826 4.504 0.322 1
1 18 . 11 1 1 A 2 2 MET CA C 1 53.382 54.262 -0.880 1
1 19 . 11 1 1 A 2 2 MET CB C 1 32.478 32.591 -0.113 1
1 22 . 11 1 1 A 2 2 MET N N 1 122.882 120.585 2.297 1
1 23 . 11 1 1 A 3 3 PRO HA H 2 4.425 4.386 0.039 1
1 30 . 11 1 1 A 3 3 PRO C C 2 176.847 176.793 0.054 1
1 31 . 11 1 1 A 3 3 PRO CA C 2 63.386 66.072 -2.686 1
1 32 . 11 1 1 A 3 3 PRO CB C 2 32.077 31.435 0.642 1
1 35 . 11 1 1 A 4 4 SER H H 3 8.347 7.978 0.369 1
1 36 . 11 1 1 A 4 4 SER HA H 3 4.391 4.449 -0.058 1
1 39 . 11 1 1 A 4 4 SER C C 3 174.643 173.942 0.701 1
1 40 . 11 1 1 A 4 4 SER CA C 3 58.336 58.409 -0.073 1
1 41 . 11 1 1 A 4 4 SER CB C 3 63.798 63.531 0.267 1
1 42 . 11 1 1 A 4 4 SER N N 3 115.234 113.544 1.690 1
1 43 . 11 1 1 A 5 5 GLU H H 4 8.472 8.399 0.073 1
1 44 . 11 1 1 A 5 5 GLU HA H 4 4.297 4.428 -0.131 1
1 49 . 11 1 1 A 5 5 GLU C C 4 176.352 176.476 -0.124 1
1 50 . 11 1 1 A 5 5 GLU CA C 4 56.572 56.113 0.459 1
1 51 . 11 1 1 A 5 5 GLU CB C 4 30.285 30.777 -0.492 1
1 53 . 11 1 1 A 5 5 GLU N N 4 123.045 121.834 1.211 1
1 54 . 11 1 1 A 6 6 LYS H H 5 8.214 8.351 -0.137 1
1 55 . 11 1 1 A 6 6 LYS HA H 5 4.500 4.278 0.222 1
1 64 . 11 1 1 A 6 6 LYS C C 5 177.243 176.619 0.624 1
1 65 . 11 1 1 A 6 6 LYS CA C 5 55.943 56.860 -0.917 1
1 66 . 11 1 1 A 6 6 LYS CB C 5 34.621 33.452 1.169 1
1 70 . 11 1 1 A 6 6 LYS N N 5 121.467 122.239 -0.772 1
1 71 . 11 1 1 A 7 7 THR H H 6 8.431 8.305 0.126 1
1 72 . 11 1 1 A 7 7 THR HA H 6 4.383 5.013 -0.630 1
1 77 . 11 1 1 A 7 7 THR C C 6 175.360 176.320 -0.960 1
1 78 . 11 1 1 A 7 7 THR CA C 6 61.124 59.510 1.614 1
1 79 . 11 1 1 A 7 7 THR CB C 6 69.863 71.741 -1.878 1
1 81 . 11 1 1 A 7 7 THR N N 6 114.691 112.176 2.515 1
1 82 . 11 1 1 A 8 8 PHE H H 7 10.194 9.453 0.741 1
1 83 . 11 1 1 A 8 8 PHE HA H 7 3.904 4.238 -0.334 1
1 88 . 11 1 1 A 8 8 PHE C C 7 177.000 177.680 -0.680 1
1 89 . 11 1 1 A 8 8 PHE CA C 7 63.388 60.527 2.861 1
1 90 . 11 1 1 A 8 8 PHE CB C 7 39.586 38.769 0.817 1
1 92 . 11 1 1 A 8 8 PHE N N 7 124.861 123.263 1.598 1
1 93 . 11 1 1 A 9 9 LYS H H 8 8.707 8.355 0.352 1
1 94 . 11 1 1 A 9 9 LYS HA H 8 3.761 3.941 -0.180 1
1 103 . 11 1 1 A 9 9 LYS C C 8 177.496 178.687 -1.191 1
1 104 . 11 1 1 A 9 9 LYS CA C 8 59.945 59.212 0.733 1
1 105 . 11 1 1 A 9 9 LYS CB C 8 33.870 31.984 1.886 1
1 109 . 11 1 1 A 9 9 LYS N N 8 114.189 117.540 -3.351 1
1 110 . 11 1 1 A 10 10 GLN H H 9 7.284 8.221 -0.937 1
1 111 . 11 1 1 A 10 10 GLN HA H 9 4.113 4.198 -0.085 1
1 118 . 11 1 1 A 10 10 GLN C C 9 177.416 178.267 -0.851 1
1 119 . 11 1 1 A 10 10 GLN CA C 9 56.743 57.927 -1.184 1
1 120 . 11 1 1 A 10 10 GLN CB C 9 30.002 29.079 0.923 1
1 123 . 11 1 1 A 10 10 GLN N N 9 112.843 119.081 -6.238 1
1 125 . 11 1 1 A 11 11 ARG H H 10 7.889 8.306 -0.417 1
1 126 . 11 1 1 A 11 11 ARG HA H 10 4.255 3.950 0.305 1
1 133 . 11 1 1 A 11 11 ARG C C 10 175.059 176.673 -1.614 1
1 134 . 11 1 1 A 11 11 ARG CA C 10 57.018 59.498 -2.480 1
1 135 . 11 1 1 A 11 11 ARG CB C 10 31.628 30.321 1.307 1
1 138 . 11 1 1 A 11 11 ARG N N 10 117.567 120.798 -3.231 1
1 139 . 11 1 1 A 12 12 ARG H H 11 7.443 7.826 -0.383 1
1 140 . 11 1 1 A 12 12 ARG HA H 11 4.493 4.253 0.240 1
1 147 . 11 1 1 A 12 12 ARG CA C 11 54.172 56.782 -2.610 1
1 148 . 11 1 1 A 12 12 ARG CB C 11 32.857 30.720 2.137 1
1 151 . 11 1 1 A 12 12 ARG N N 11 122.786 120.307 2.479 1
1 152 . 11 1 1 A 13 13 SER HA H 12 4.403 4.465 -0.062 1
1 155 . 11 1 1 A 13 13 SER C C 12 174.222 175.475 -1.253 1
1 156 . 11 1 1 A 13 13 SER CA C 12 58.274 59.976 -1.702 1
1 157 . 11 1 1 A 13 13 SER CB C 12 64.821 63.425 1.396 1
1 158 . 11 1 1 A 14 14 PHE H H 13 9.239 9.258 -0.019 1
1 159 . 11 1 1 A 14 14 PHE HA H 13 4.035 4.080 -0.045 1
1 165 . 11 1 1 A 14 14 PHE C C 13 176.023 177.026 -1.003 1
1 166 . 11 1 1 A 14 14 PHE CA C 13 62.790 62.780 0.010 1
1 167 . 11 1 1 A 14 14 PHE CB C 13 39.580 39.886 -0.306 1
1 169 . 11 1 1 A 14 14 PHE N N 13 123.729 126.092 -2.363 1
1 170 . 11 1 1 A 15 15 GLU H H 14 9.093 8.531 0.562 1
1 171 . 11 1 1 A 15 15 GLU HA H 14 3.813 3.929 -0.116 1
1 176 . 11 1 1 A 15 15 GLU C C 14 179.549 178.612 0.937 1
1 177 . 11 1 1 A 15 15 GLU CA C 14 60.444 60.093 0.351 1
1 178 . 11 1 1 A 15 15 GLU CB C 14 28.804 29.218 -0.414 1
1 180 . 11 1 1 A 15 15 GLU N N 14 115.336 117.630 -2.294 1
1 181 . 11 1 1 A 16 16 GLN H H 15 7.752 8.362 -0.610 1
1 182 . 11 1 1 A 16 16 GLN HA H 15 4.044 4.226 -0.182 1
1 189 . 11 1 1 A 16 16 GLN C C 15 177.931 177.558 0.373 1
1 190 . 11 1 1 A 16 16 GLN CA C 15 58.486 58.073 0.413 1
1 191 . 11 1 1 A 16 16 GLN CB C 15 29.393 28.538 0.855 1
1 194 . 11 1 1 A 16 16 GLN N N 15 119.145 118.717 0.428 1
1 196 . 11 1 1 A 17 17 ARG H H 16 8.577 8.274 0.303 1
1 197 . 11 1 1 A 17 17 ARG HA H 16 4.280 4.362 -0.082 1
1 202 . 11 1 1 A 17 17 ARG C C 16 177.128 178.867 -1.739 1
1 203 . 11 1 1 A 17 17 ARG CA C 16 61.442 57.677 3.765 1
1 204 . 11 1 1 A 17 17 ARG N N 16 121.288 118.955 2.333 1
1 205 . 11 1 1 A 18 18 VAL H H 17 8.329 8.126 0.203 1
1 206 . 11 1 1 A 18 18 VAL HA H 17 3.938 3.790 0.148 1
1 214 . 11 1 1 A 18 18 VAL C C 17 179.744 178.065 1.679 1
1 215 . 11 1 1 A 18 18 VAL CA C 17 65.441 65.125 0.316 1
1 216 . 11 1 1 A 18 18 VAL CB C 17 32.080 31.423 0.657 1
1 219 . 11 1 1 A 18 18 VAL N N 17 116.752 117.676 -0.924 1
1 220 . 11 1 1 A 19 19 GLU H H 18 7.445 7.974 -0.529 1
1 221 . 11 1 1 A 19 19 GLU HA H 18 4.270 4.066 0.204 1
1 226 . 11 1 1 A 19 19 GLU C C 18 177.625 178.395 -0.770 1
1 227 . 11 1 1 A 19 19 GLU CA C 18 58.637 58.868 -0.231 1
1 228 . 11 1 1 A 19 19 GLU CB C 18 29.398 29.724 -0.326 1
1 230 . 11 1 1 A 19 19 GLU N N 18 120.323 121.929 -1.606 1
1 231 . 11 1 1 A 20 20 ASP H H 19 8.690 8.028 0.662 1
1 232 . 11 1 1 A 20 20 ASP HA H 19 4.514 4.413 0.101 1
1 235 . 11 1 1 A 20 20 ASP C C 19 179.877 178.071 1.806 1
1 236 . 11 1 1 A 20 20 ASP CA C 19 57.224 57.088 0.136 1
1 237 . 11 1 1 A 20 20 ASP CB C 19 41.487 41.179 0.308 1
1 238 . 11 1 1 A 20 20 ASP N N 19 120.313 119.920 0.393 1
1 239 . 11 1 1 A 21 21 VAL H H 20 7.731 7.594 0.137 1
1 240 . 11 1 1 A 21 21 VAL HA H 20 3.394 3.332 0.062 1
1 248 . 11 1 1 A 21 21 VAL C C 20 176.989 178.075 -1.086 1
1 249 . 11 1 1 A 21 21 VAL CA C 20 65.989 65.209 0.780 1
1 250 . 11 1 1 A 21 21 VAL CB C 20 31.291 30.861 0.430 1
1 253 . 11 1 1 A 21 21 VAL N N 20 119.119 118.552 0.567 1
1 254 . 11 1 1 A 22 22 ARG H H 21 8.313 7.931 0.382 1
1 255 . 11 1 1 A 22 22 ARG HA H 21 3.825 3.947 -0.122 1
1 263 . 11 1 1 A 22 22 ARG C C 21 180.178 178.360 1.818 1
1 264 . 11 1 1 A 22 22 ARG CA C 21 59.821 58.857 0.964 1
1 265 . 11 1 1 A 22 22 ARG CB C 21 30.164 30.041 0.123 1
1 269 . 11 1 1 A 22 22 ARG N N 21 120.772 121.575 -0.803 1
1 271 . 11 1 1 A 23 23 LEU H H 22 8.306 8.244 0.062 1
1 272 . 11 1 1 A 23 23 LEU HA H 22 4.076 3.923 0.153 1
1 282 . 11 1 1 A 23 23 LEU C C 22 180.221 179.033 1.188 1
1 283 . 11 1 1 A 23 23 LEU CA C 22 57.541 58.028 -0.487 1
1 284 . 11 1 1 A 23 23 LEU CB C 22 42.300 41.592 0.708 1
1 288 . 11 1 1 A 23 23 LEU N N 22 116.413 119.400 -2.987 1
1 289 . 11 1 1 A 24 24 ILE H H 23 7.864 8.105 -0.241 1
1 290 . 11 1 1 A 24 24 ILE HA H 23 4.090 3.842 0.248 1
1 300 . 11 1 1 A 24 24 ILE C C 23 177.922 178.425 -0.503 1
1 301 . 11 1 1 A 24 24 ILE CA C 23 60.190 64.614 -4.424 1
1 302 . 11 1 1 A 24 24 ILE CB C 23 38.072 37.372 0.700 1
1 306 . 11 1 1 A 24 24 ILE N N 23 121.259 117.881 3.378 1
1 307 . 11 1 1 A 25 25 ARG H H 24 8.339 8.362 -0.023 1
1 308 . 11 1 1 A 25 25 ARG HA H 24 3.973 4.022 -0.049 1
1 316 . 11 1 1 A 25 25 ARG C C 24 178.479 178.173 0.306 1
1 317 . 11 1 1 A 25 25 ARG CA C 24 57.337 59.414 -2.077 1
1 318 . 11 1 1 A 25 25 ARG CB C 24 28.663 30.133 -1.470 1
1 322 . 11 1 1 A 25 25 ARG N N 24 121.816 121.251 0.565 1
1 324 . 11 1 1 A 26 26 GLU H H 25 7.133 8.463 -1.330 1
1 325 . 11 1 1 A 26 26 GLU HA H 25 4.052 4.263 -0.211 1
1 330 . 11 1 1 A 26 26 GLU C C 25 178.158 177.028 1.130 1
1 331 . 11 1 1 A 26 26 GLU CA C 25 58.367 57.341 1.026 1
1 332 . 11 1 1 A 26 26 GLU CB C 25 29.903 30.035 -0.132 1
1 334 . 11 1 1 A 26 26 GLU N N 25 116.794 117.207 -0.413 1
1 335 . 11 1 1 A 27 27 GLN H H 26 7.283 8.148 -0.865 1
1 336 . 11 1 1 A 27 27 GLN HA H 26 3.888 4.395 -0.507 1
1 343 . 11 1 1 A 27 27 GLN C C 26 176.088 175.976 0.112 1
1 344 . 11 1 1 A 27 27 GLN CA C 26 57.676 57.229 0.447 1
1 345 . 11 1 1 A 27 27 GLN CB C 26 30.382 30.456 -0.074 1
1 348 . 11 1 1 A 27 27 GLN N N 26 116.373 118.061 -1.688 1
1 350 . 11 1 1 A 28 28 HIS H H 27 8.223 8.577 -0.354 1
1 351 . 11 1 1 A 28 28 HIS HA H 27 4.941 5.064 -0.123 1
1 356 . 11 1 1 A 28 28 HIS CA C 27 53.278 53.155 0.123 1
1 357 . 11 1 1 A 28 28 HIS CB C 27 30.933 29.842 1.091 1
1 360 . 11 1 1 A 28 28 HIS N N 27 115.408 116.264 -0.856 1
1 361 . 11 1 1 A 29 29 PRO HA H 28 4.562 4.359 0.203 1
1 368 . 11 1 1 A 29 29 PRO C C 28 178.046 177.621 0.425 1
1 369 . 11 1 1 A 29 29 PRO CA C 28 64.821 64.458 0.363 1
1 370 . 11 1 1 A 29 29 PRO CB C 28 32.447 31.981 0.466 1
1 373 . 11 1 1 A 30 30 THR H H 29 7.820 7.754 0.066 1
1 374 . 11 1 1 A 30 30 THR HA H 29 4.583 4.364 0.219 1
1 379 . 11 1 1 A 30 30 THR C C 29 172.723 173.298 -0.575 1
1 380 . 11 1 1 A 30 30 THR CA C 29 60.826 61.519 -0.693 1
1 381 . 11 1 1 A 30 30 THR CB C 29 68.641 69.149 -0.508 1
1 383 . 11 1 1 A 30 30 THR N N 29 106.682 107.878 -1.196 1
1 384 . 11 1 1 A 31 31 LYS H H 30 7.453 7.139 0.314 1
1 385 . 11 1 1 A 31 31 LYS HA H 30 4.850 4.832 0.018 1
1 394 . 11 1 1 A 31 31 LYS C C 30 174.296 174.856 -0.560 1
1 395 . 11 1 1 A 31 31 LYS CA C 30 53.944 54.717 -0.773 1
1 396 . 11 1 1 A 31 31 LYS CB C 30 36.098 37.677 -1.579 1
1 400 . 11 1 1 A 31 31 LYS N N 30 117.809 120.344 -2.535 1
1 401 . 11 1 1 A 32 32 ILE H H 31 9.265 9.346 -0.081 1
1 402 . 11 1 1 A 32 32 ILE HA H 31 4.106 4.122 -0.016 1
1 412 . 11 1 1 A 32 32 ILE CA C 31 54.606 57.282 -2.676 1
1 413 . 11 1 1 A 32 32 ILE CB C 31 38.448 39.736 -1.288 1
1 417 . 11 1 1 A 32 32 ILE N N 31 122.497 121.790 0.707 1
1 418 . 11 1 1 A 33 33 PRO HA H 32 5.252 4.877 0.375 1
1 425 . 11 1 1 A 33 33 PRO C C 32 174.652 176.675 -2.023 1
1 426 . 11 1 1 A 33 33 PRO CA C 32 61.704 62.486 -0.782 1
1 427 . 11 1 1 A 33 33 PRO CB C 32 31.873 31.749 0.124 1
1 430 . 11 1 1 A 34 34 VAL H H 33 9.359 8.358 1.001 1
1 431 . 11 1 1 A 34 34 VAL HA H 33 5.298 5.065 0.233 1
1 439 . 11 1 1 A 34 34 VAL C C 33 173.633 174.802 -1.169 1
1 440 . 11 1 1 A 34 34 VAL CA C 33 59.830 59.581 0.249 1
1 441 . 11 1 1 A 34 34 VAL CB C 33 36.154 36.108 0.046 1
1 444 . 11 1 1 A 34 34 VAL N N 33 124.496 116.729 7.767 1
1 445 . 11 1 1 A 35 35 ILE H H 34 8.667 9.079 -0.412 1
1 446 . 11 1 1 A 35 35 ILE HA H 34 4.867 4.872 -0.005 1
1 456 . 11 1 1 A 35 35 ILE C C 34 175.770 174.778 0.992 1
1 457 . 11 1 1 A 35 35 ILE CA C 34 56.320 60.069 -3.749 1
1 458 . 11 1 1 A 35 35 ILE CB C 34 36.909 39.351 -2.442 1
1 462 . 11 1 1 A 35 35 ILE N N 34 127.447 122.420 5.027 1
1 463 . 11 1 1 A 36 36 ILE H H 35 8.422 8.748 -0.326 1
1 464 . 11 1 1 A 36 36 ILE HA H 35 4.890 5.102 -0.212 1
1 474 . 11 1 1 A 36 36 ILE C C 35 175.098 175.739 -0.641 1
1 475 . 11 1 1 A 36 36 ILE CA C 35 60.806 60.234 0.572 1
1 476 . 11 1 1 A 36 36 ILE CB C 35 39.357 38.396 0.961 1
1 480 . 11 1 1 A 36 36 ILE N N 35 124.267 128.613 -4.346 1
1 481 . 11 1 1 A 37 37 GLU H H 36 8.335 8.628 -0.293 1
1 482 . 11 1 1 A 37 37 GLU HA H 36 4.820 4.866 -0.046 1
1 487 . 11 1 1 A 37 37 GLU C C 36 173.502 175.485 -1.983 1
1 488 . 11 1 1 A 37 37 GLU CA C 36 54.214 54.199 0.015 1
1 489 . 11 1 1 A 37 37 GLU CB C 36 35.547 33.770 1.777 1
1 491 . 11 1 1 A 37 37 GLU N N 36 123.296 125.618 -2.322 1
1 492 . 11 1 1 A 38 38 ARG H H 37 8.891 8.112 0.779 1
1 493 . 11 1 1 A 38 38 ARG HA H 37 2.755 3.487 -0.732 1
1 501 . 11 1 1 A 38 38 ARG C C 37 176.165 175.383 0.782 1
1 502 . 11 1 1 A 38 38 ARG CA C 37 56.235 55.827 0.408 1
1 503 . 11 1 1 A 38 38 ARG CB C 37 31.328 30.448 0.880 1
1 507 . 11 1 1 A 38 38 ARG N N 37 123.143 120.825 2.318 1
1 509 . 11 1 1 A 39 39 TYR H H 38 8.681 7.949 0.732 1
1 510 . 11 1 1 A 39 39 TYR HA H 38 4.331 4.418 -0.087 1
1 517 . 11 1 1 A 39 39 TYR C C 38 177.064 175.341 1.723 1
1 518 . 11 1 1 A 39 39 TYR CA C 38 57.769 58.997 -1.228 1
1 519 . 11 1 1 A 39 39 TYR CB C 38 39.552 39.025 0.527 1
1 522 . 11 1 1 A 39 39 TYR N N 38 128.699 122.659 6.040 1
1 523 . 11 1 1 A 40 40 LYS H H 39 8.454 7.850 0.604 1
1 524 . 11 1 1 A 40 40 LYS HA H 39 3.841 3.923 -0.082 1
1 533 . 11 1 1 A 40 40 LYS C C 39 176.290 176.716 -0.426 1
1 534 . 11 1 1 A 40 40 LYS CA C 39 58.772 56.662 2.110 1
1 535 . 11 1 1 A 40 40 LYS CB C 39 31.738 31.371 0.367 1
1 539 . 11 1 1 A 40 40 LYS N N 39 130.022 123.014 7.008 1
1 540 . 11 1 1 A 41 41 GLY H H 40 5.457 8.654 -3.197 1
1 541 . 11 1 1 A 41 41 GLY HA2 H 40 3.306 4.032 -0.726 1
1 542 . 11 1 1 A 41 41 GLY HA3 H 40 3.999 4.122 -0.123 1
1 543 . 11 1 1 A 41 41 GLY C C 40 173.426 174.067 -0.641 1
1 544 . 11 1 1 A 41 41 GLY CA C 40 44.673 45.300 -0.627 1
1 545 . 11 1 1 A 41 41 GLY N N 40 104.628 113.162 -8.534 1
1 546 . 11 1 1 A 42 42 GLU H H 41 7.440 8.220 -0.780 1
1 547 . 11 1 1 A 42 42 GLU HA H 41 4.278 4.648 -0.370 1
1 552 . 11 1 1 A 42 42 GLU C C 41 176.306 176.461 -0.155 1
1 553 . 11 1 1 A 42 42 GLU CA C 41 56.358 55.155 1.203 1
1 554 . 11 1 1 A 42 42 GLU CB C 41 31.014 30.618 0.396 1
1 556 . 11 1 1 A 42 42 GLU N N 41 122.648 120.646 2.002 1
1 557 . 11 1 1 A 43 43 LYS H H 42 8.912 8.457 0.455 1
1 558 . 11 1 1 A 43 43 LYS HA H 42 4.680 4.604 0.076 1
1 567 . 11 1 1 A 43 43 LYS C C 42 177.063 178.497 -1.434 1
1 568 . 11 1 1 A 43 43 LYS CA C 42 55.652 57.037 -1.385 1
1 569 . 11 1 1 A 43 43 LYS CB C 42 34.871 33.998 0.873 1
1 573 . 11 1 1 A 43 43 LYS N N 42 123.569 123.358 0.211 1
1 574 . 11 1 1 A 44 44 GLN H H 43 8.446 8.148 0.298 1
1 575 . 11 1 1 A 44 44 GLN HA H 43 4.545 4.035 0.510 1
1 582 . 11 1 1 A 44 44 GLN C C 43 177.152 177.109 0.043 1
1 583 . 11 1 1 A 44 44 GLN CA C 43 57.561 59.133 -1.572 1
1 584 . 11 1 1 A 44 44 GLN CB C 43 30.671 28.679 1.992 1
1 587 . 11 1 1 A 44 44 GLN N N 43 118.990 118.829 0.161 1
1 589 . 11 1 1 A 45 45 LEU H H 44 9.043 8.134 0.909 1
1 590 . 11 1 1 A 45 45 LEU HA H 44 4.716 4.455 0.261 1
1 600 . 11 1 1 A 45 45 LEU CA C 44 53.078 53.977 -0.899 1
1 601 . 11 1 1 A 45 45 LEU CB C 44 43.614 41.184 2.430 1
1 605 . 11 1 1 A 45 45 LEU N N 44 120.375 120.177 0.198 1
1 606 . 11 1 1 A 46 46 PRO HA H 45 4.723 4.631 0.092 1
1 613 . 11 1 1 A 46 46 PRO C C 45 175.883 176.148 -0.265 1
1 614 . 11 1 1 A 46 46 PRO CA C 45 62.005 62.307 -0.302 1
1 615 . 11 1 1 A 46 46 PRO CB C 45 32.609 32.265 0.344 1
1 618 . 11 1 1 A 47 47 VAL H H 46 8.437 8.557 -0.120 1
1 619 . 11 1 1 A 47 47 VAL HA H 46 3.914 4.570 -0.656 1
1 627 . 11 1 1 A 47 47 VAL C C 46 175.367 175.758 -0.391 1
1 628 . 11 1 1 A 47 47 VAL CA C 46 62.700 61.822 0.878 1
1 629 . 11 1 1 A 47 47 VAL CB C 46 32.927 31.865 1.062 1
1 632 . 11 1 1 A 47 47 VAL N N 46 118.440 121.416 -2.976 1
1 633 . 11 1 1 A 48 48 LEU H H 47 7.863 8.555 -0.692 1
1 634 . 11 1 1 A 48 48 LEU HA H 47 4.384 4.100 0.284 1
1 644 . 11 1 1 A 48 48 LEU C C 47 176.088 178.009 -1.921 1
1 645 . 11 1 1 A 48 48 LEU CA C 47 54.851 56.045 -1.194 1
1 646 . 11 1 1 A 48 48 LEU CB C 47 43.841 43.613 0.228 1
1 650 . 11 1 1 A 48 48 LEU N N 47 129.127 129.180 -0.053 1
1 651 . 11 1 1 A 49 49 ASP H H 48 8.699 8.959 -0.260 1
1 652 . 11 1 1 A 49 49 ASP HA H 48 4.293 4.317 -0.024 1
1 655 . 11 1 1 A 49 49 ASP C C 48 175.121 175.712 -0.591 1
1 656 . 11 1 1 A 49 49 ASP CA C 48 55.717 57.517 -1.800 1
1 657 . 11 1 1 A 49 49 ASP CB C 48 40.260 41.080 -0.820 1
1 658 . 11 1 1 A 49 49 ASP N N 48 121.389 126.596 -5.207 1
1 659 . 11 1 1 A 50 50 LYS H H 49 7.251 7.498 -0.247 1
1 660 . 11 1 1 A 50 50 LYS HA H 49 4.540 4.532 0.008 1
1 669 . 11 1 1 A 50 50 LYS C C 49 174.664 175.501 -0.837 1
1 670 . 11 1 1 A 50 50 LYS CA C 49 53.211 55.111 -1.900 1
1 671 . 11 1 1 A 50 50 LYS CB C 49 35.514 33.404 2.110 1
1 675 . 11 1 1 A 50 50 LYS N N 49 118.260 112.977 5.283 1
1 676 . 11 1 1 A 51 51 THR H H 50 8.162 8.065 0.097 1
1 677 . 11 1 1 A 51 51 THR HA H 50 4.685 4.602 0.083 1
1 682 . 11 1 1 A 51 51 THR C C 50 171.631 174.428 -2.797 1
1 683 . 11 1 1 A 51 51 THR CA C 50 63.581 62.823 0.758 1
1 684 . 11 1 1 A 51 51 THR CB C 50 71.587 69.925 1.662 1
1 686 . 11 1 1 A 51 51 THR N N 50 112.535 112.446 0.089 1
1 687 . 11 1 1 A 52 52 LYS H H 51 6.971 7.412 -0.441 1
1 688 . 11 1 1 A 52 52 LYS HA H 51 4.443 4.774 -0.331 1
1 697 . 11 1 1 A 52 52 LYS C C 51 175.417 175.620 -0.203 1
1 698 . 11 1 1 A 52 52 LYS CA C 51 55.209 55.125 0.084 1
1 699 . 11 1 1 A 52 52 LYS CB C 51 33.309 33.919 -0.610 1
1 703 . 11 1 1 A 52 52 LYS N N 51 120.227 118.991 1.236 1
1 704 . 11 1 1 A 53 53 PHE H H 52 9.688 9.056 0.632 1
1 705 . 11 1 1 A 53 53 PHE HA H 52 5.675 5.008 0.667 1
1 712 . 11 1 1 A 53 53 PHE C C 52 174.348 174.589 -0.241 1
1 713 . 11 1 1 A 53 53 PHE CA C 52 56.625 56.666 -0.041 1
1 714 . 11 1 1 A 53 53 PHE CB C 52 43.109 43.096 0.013 1
1 716 . 11 1 1 A 53 53 PHE N N 52 124.646 121.457 3.189 1
1 717 . 11 1 1 A 54 54 LEU H H 53 8.470 9.063 -0.593 1
1 718 . 11 1 1 A 54 54 LEU HA H 53 5.044 4.870 0.174 1
1 728 . 11 1 1 A 54 54 LEU C C 53 176.144 176.010 0.134 1
1 729 . 11 1 1 A 54 54 LEU CA C 53 52.954 53.337 -0.383 1
1 730 . 11 1 1 A 54 54 LEU CB C 53 45.081 42.306 2.775 1
1 734 . 11 1 1 A 54 54 LEU N N 53 119.430 124.120 -4.690 1
1 735 . 11 1 1 A 55 55 VAL H H 54 8.802 8.734 0.068 1
1 736 . 11 1 1 A 55 55 VAL HA H 54 4.640 4.501 0.139 1
1 744 . 11 1 1 A 55 55 VAL CA C 54 58.549 59.889 -1.340 1
1 745 . 11 1 1 A 55 55 VAL CB C 54 35.342 31.714 3.628 1
1 748 . 11 1 1 A 55 55 VAL N N 54 123.841 125.970 -2.129 1
1 749 . 11 1 1 A 56 56 PRO HA H 55 4.439 4.665 -0.226 1
1 756 . 11 1 1 A 56 56 PRO C C 55 176.666 176.410 0.256 1
1 757 . 11 1 1 A 56 56 PRO CA C 55 64.256 62.393 1.863 1
1 758 . 11 1 1 A 56 56 PRO CB C 55 32.783 31.556 1.227 1
1 761 . 11 1 1 A 57 57 ASP H H 56 8.412 8.493 -0.081 1
1 762 . 11 1 1 A 57 57 ASP HA H 56 3.848 4.425 -0.577 1
1 765 . 11 1 1 A 57 57 ASP C C 56 175.417 176.605 -1.188 1
1 766 . 11 1 1 A 57 57 ASP CA C 56 56.616 54.142 2.474 1
1 767 . 11 1 1 A 57 57 ASP CB C 56 40.410 39.675 0.735 1
1 768 . 11 1 1 A 57 57 ASP N N 56 120.415 123.348 -2.933 1
1 769 . 11 1 1 A 58 58 HIS H H 57 7.373 7.500 -0.127 1
1 770 . 11 1 1 A 58 58 HIS HA H 57 4.770 4.673 0.097 1
1 775 . 11 1 1 A 58 58 HIS C C 57 176.594 174.356 2.238 1
1 776 . 11 1 1 A 58 58 HIS CA C 57 55.584 56.082 -0.498 1
1 777 . 11 1 1 A 58 58 HIS CB C 57 30.628 30.683 -0.055 1
1 780 . 11 1 1 A 58 58 HIS N N 57 113.439 114.368 -0.929 1
1 781 . 11 1 1 A 59 59 VAL H H 58 7.249 6.770 0.479 1
1 782 . 11 1 1 A 59 59 VAL HA H 58 3.903 4.717 -0.814 1
1 790 . 11 1 1 A 59 59 VAL C C 58 175.014 174.521 0.493 1
1 791 . 11 1 1 A 59 59 VAL CA C 58 62.726 59.638 3.088 1
1 792 . 11 1 1 A 59 59 VAL CB C 58 32.190 34.997 -2.807 1
1 795 . 11 1 1 A 59 59 VAL N N 58 122.597 115.684 6.913 1
1 796 . 11 1 1 A 60 60 ASN H H 59 8.677 8.548 0.129 1
1 797 . 11 1 1 A 60 60 ASN HA H 59 5.187 5.108 0.079 1
1 802 . 11 1 1 A 60 60 ASN C C 59 176.477 176.390 0.087 1
1 803 . 11 1 1 A 60 60 ASN CA C 59 51.181 51.679 -0.498 1
1 804 . 11 1 1 A 60 60 ASN CB C 59 39.947 41.294 -1.347 1
1 806 . 11 1 1 A 60 60 ASN N N 59 122.962 119.224 3.738 1
1 808 . 11 1 1 A 61 61 MET H H 60 8.038 8.405 -0.367 1
1 809 . 11 1 1 A 61 61 MET HA H 60 4.426 4.224 0.202 1
1 817 . 11 1 1 A 61 61 MET C C 60 177.996 178.539 -0.543 1
1 818 . 11 1 1 A 61 61 MET CA C 60 57.118 58.084 -0.966 1
1 819 . 11 1 1 A 61 61 MET CB C 60 29.998 32.231 -2.233 1
1 822 . 11 1 1 A 61 61 MET N N 60 116.814 121.287 -4.473 1
1 823 . 11 1 1 A 62 62 SER H H 61 8.401 8.149 0.252 1
1 824 . 11 1 1 A 62 62 SER HA H 61 4.132 4.134 -0.002 1
1 827 . 11 1 1 A 62 62 SER C C 61 177.255 177.160 0.095 1
1 828 . 11 1 1 A 62 62 SER CA C 61 61.559 61.437 0.122 1
1 829 . 11 1 1 A 62 62 SER CB C 61 62.430 63.115 -0.685 1
1 830 . 11 1 1 A 62 62 SER N N 61 114.109 115.191 -1.082 1
1 831 . 11 1 1 A 63 63 GLU H H 62 8.014 8.114 -0.100 1
1 832 . 11 1 1 A 63 63 GLU HA H 62 4.016 3.973 0.043 1
1 837 . 11 1 1 A 63 63 GLU C C 62 178.327 179.084 -0.757 1
1 838 . 11 1 1 A 63 63 GLU CA C 62 58.787 59.442 -0.655 1
1 839 . 11 1 1 A 63 63 GLU CB C 62 29.814 29.286 0.528 1
1 841 . 11 1 1 A 63 63 GLU N N 62 122.806 121.054 1.752 1
1 842 . 11 1 1 A 64 64 LEU H H 63 8.254 7.759 0.495 1
1 843 . 11 1 1 A 64 64 LEU HA H 63 3.932 4.030 -0.098 1
1 853 . 11 1 1 A 64 64 LEU C C 63 178.029 178.504 -0.475 1
1 854 . 11 1 1 A 64 64 LEU CA C 63 57.986 58.021 -0.035 1
1 855 . 11 1 1 A 64 64 LEU CB C 63 41.377 41.673 -0.296 1
1 859 . 11 1 1 A 64 64 LEU N N 63 120.526 121.904 -1.378 1
1 860 . 11 1 1 A 65 65 ILE H H 64 8.415 8.564 -0.149 1
1 861 . 11 1 1 A 65 65 ILE HA H 64 3.377 3.696 -0.319 1
1 871 . 11 1 1 A 65 65 ILE C C 64 177.078 177.676 -0.598 1
1 872 . 11 1 1 A 65 65 ILE CA C 64 66.699 65.483 1.216 1
1 873 . 11 1 1 A 65 65 ILE CB C 64 38.128 37.844 0.284 1
1 877 . 11 1 1 A 65 65 ILE N N 64 118.349 119.616 -1.267 1
1 878 . 11 1 1 A 66 66 LYS H H 65 7.366 7.851 -0.485 1
1 879 . 11 1 1 A 66 66 LYS HA H 65 3.696 4.031 -0.335 1
1 888 . 11 1 1 A 66 66 LYS C C 65 179.260 179.130 0.130 1
1 889 . 11 1 1 A 66 66 LYS CA C 65 60.593 59.309 1.284 1
1 890 . 11 1 1 A 66 66 LYS CB C 65 32.421 32.653 -0.232 1
1 894 . 11 1 1 A 66 66 LYS N N 65 118.334 119.161 -0.827 1
1 895 . 11 1 1 A 67 67 ILE H H 66 8.179 7.829 0.350 1
1 896 . 11 1 1 A 67 67 ILE HA H 66 3.546 3.651 -0.105 1
1 906 . 11 1 1 A 67 67 ILE C C 66 178.784 177.708 1.076 1
1 907 . 11 1 1 A 67 67 ILE CA C 66 65.488 65.208 0.280 1
1 908 . 11 1 1 A 67 67 ILE CB C 66 38.593 38.010 0.583 1
1 912 . 11 1 1 A 67 67 ILE N N 66 119.791 120.260 -0.469 1
1 913 . 11 1 1 A 68 68 ILE H H 67 8.279 8.434 -0.155 1
1 914 . 11 1 1 A 68 68 ILE HA H 67 3.391 3.370 0.021 1
1 924 . 11 1 1 A 68 68 ILE C C 67 177.403 177.533 -0.130 1
1 925 . 11 1 1 A 68 68 ILE CA C 67 63.144 65.455 -2.311 1
1 926 . 11 1 1 A 68 68 ILE CB C 67 35.269 37.441 -2.172 1
1 930 . 11 1 1 A 68 68 ILE N N 67 120.267 120.526 -0.259 1
1 931 . 11 1 1 A 69 69 ARG H H 68 8.454 8.335 0.119 1
1 932 . 11 1 1 A 69 69 ARG HA H 68 2.966 3.333 -0.367 1
1 939 . 11 1 1 A 69 69 ARG C C 68 178.385 178.948 -0.563 1
1 940 . 11 1 1 A 69 69 ARG CA C 68 60.642 59.693 0.949 1
1 941 . 11 1 1 A 69 69 ARG CB C 68 30.442 29.865 0.577 1
1 944 . 11 1 1 A 69 69 ARG N N 68 118.881 118.795 0.086 1
1 945 . 11 1 1 A 70 70 ARG H H 69 7.492 8.174 -0.682 1
1 946 . 11 1 1 A 70 70 ARG HA H 69 4.164 3.927 0.237 1
1 954 . 11 1 1 A 70 70 ARG C C 69 180.253 178.965 1.288 1
1 955 . 11 1 1 A 70 70 ARG CA C 69 58.510 59.592 -1.082 1
1 956 . 11 1 1 A 70 70 ARG CB C 69 29.587 30.030 -0.443 1
1 960 . 11 1 1 A 70 70 ARG N N 69 116.411 119.412 -3.001 1
1 962 . 11 1 1 A 71 71 ARG H H 70 8.086 8.047 0.039 1
1 963 . 11 1 1 A 71 71 ARG HA H 70 4.025 4.006 0.019 1
1 970 . 11 1 1 A 71 71 ARG C C 70 178.558 178.372 0.186 1
1 971 . 11 1 1 A 71 71 ARG CA C 70 59.428 59.031 0.397 1
1 972 . 11 1 1 A 71 71 ARG CB C 70 30.235 30.372 -0.137 1
1 975 . 11 1 1 A 71 71 ARG N N 70 122.779 119.303 3.476 1
1 976 . 11 1 1 A 72 72 LEU H H 71 7.755 7.773 -0.018 1
1 977 . 11 1 1 A 72 72 LEU HA H 71 4.081 3.960 0.121 1
1 987 . 11 1 1 A 72 72 LEU C C 71 174.852 176.791 -1.939 1
1 988 . 11 1 1 A 72 72 LEU CA C 71 55.060 56.350 -1.290 1
1 989 . 11 1 1 A 72 72 LEU CB C 71 43.109 41.686 1.423 1
1 993 . 11 1 1 A 72 72 LEU N N 71 116.551 119.044 -2.493 1
1 994 . 11 1 1 A 73 73 GLN H H 72 7.740 7.981 -0.241 1
1 995 . 11 1 1 A 73 73 GLN HA H 72 3.853 3.935 -0.082 1
1 1002 . 11 1 1 A 73 73 GLN C C 72 175.619 174.803 0.816 1
1 1003 . 11 1 1 A 73 73 GLN CA C 72 56.273 56.522 -0.249 1
1 1004 . 11 1 1 A 73 73 GLN CB C 72 25.939 26.339 -0.400 1
1 1007 . 11 1 1 A 73 73 GLN N N 72 114.737 117.578 -2.841 1
1 1009 . 11 1 1 A 74 74 LEU H H 73 7.525 7.812 -0.287 1
1 1010 . 11 1 1 A 74 74 LEU HA H 73 4.242 4.563 -0.321 1
1 1020 . 11 1 1 A 74 74 LEU C C 73 178.611 176.234 2.377 1
1 1021 . 11 1 1 A 74 74 LEU CA C 73 54.382 53.948 0.434 1
1 1022 . 11 1 1 A 74 74 LEU CB C 73 41.995 42.663 -0.668 1
1 1026 . 11 1 1 A 74 74 LEU N N 73 114.861 120.204 -5.343 1
1 1027 . 11 1 1 A 75 75 ASN H H 74 8.970 8.722 0.248 1
1 1028 . 11 1 1 A 75 75 ASN HA H 74 4.694 5.056 -0.362 1
1 1033 . 11 1 1 A 75 75 ASN C C 74 176.527 176.308 0.219 1
1 1034 . 11 1 1 A 75 75 ASN CA C 74 52.686 51.735 0.951 1
1 1035 . 11 1 1 A 75 75 ASN CB C 74 39.583 41.184 -1.601 1
1 1037 . 11 1 1 A 75 75 ASN N N 74 121.274 117.583 3.691 1
1 1039 . 11 1 1 A 76 76 ALA H H 75 8.697 8.565 0.132 1
1 1040 . 11 1 1 A 76 76 ALA HA H 75 3.966 4.176 -0.210 1
1 1044 . 11 1 1 A 76 76 ALA C C 75 178.002 178.436 -0.434 1
1 1045 . 11 1 1 A 76 76 ALA CA C 75 54.797 53.545 1.252 1
1 1046 . 11 1 1 A 76 76 ALA CB C 75 18.669 18.781 -0.112 1
1 1047 . 11 1 1 A 76 76 ALA N N 75 123.590 122.229 1.361 1
1 1048 . 11 1 1 A 77 77 ASN H H 76 8.344 8.020 0.324 1
1 1049 . 11 1 1 A 77 77 ASN HA H 76 4.585 4.703 -0.118 1
1 1054 . 11 1 1 A 77 77 ASN C C 76 175.371 175.441 -0.070 1
1 1055 . 11 1 1 A 77 77 ASN CA C 76 53.183 54.702 -1.519 1
1 1056 . 11 1 1 A 77 77 ASN CB C 76 38.277 39.567 -1.290 1
1 1058 . 11 1 1 A 77 77 ASN N N 76 112.004 116.013 -4.009 1
1 1060 . 11 1 1 A 78 78 GLN H H 77 7.532 7.649 -0.117 1
1 1061 . 11 1 1 A 78 78 GLN HA H 77 4.281 4.393 -0.112 1
1 1068 . 11 1 1 A 78 78 GLN C C 77 175.001 175.092 -0.091 1
1 1069 . 11 1 1 A 78 78 GLN CA C 77 55.875 56.172 -0.297 1
1 1070 . 11 1 1 A 78 78 GLN CB C 77 30.227 29.348 0.879 1
1 1073 . 11 1 1 A 78 78 GLN N N 77 120.237 119.301 0.936 1
1 1075 . 11 1 1 A 79 79 ALA H H 78 8.732 8.731 0.001 1
1 1076 . 11 1 1 A 79 79 ALA HA H 78 4.183 5.327 -1.144 1
1 1080 . 11 1 1 A 79 79 ALA C C 78 176.367 175.912 0.455 1
1 1081 . 11 1 1 A 79 79 ALA CA C 78 52.798 50.232 2.566 1
1 1082 . 11 1 1 A 79 79 ALA CB C 78 20.051 22.124 -2.073 1
1 1083 . 11 1 1 A 79 79 ALA N N 78 130.399 127.904 2.495 1
1 1084 . 11 1 1 A 80 80 PHE H H 79 7.603 8.462 -0.859 1
1 1085 . 11 1 1 A 80 80 PHE HA H 79 4.449 5.069 -0.620 1
1 1093 . 11 1 1 A 80 80 PHE C C 79 171.709 172.985 -1.276 1
1 1094 . 11 1 1 A 80 80 PHE CA C 79 59.101 57.211 1.890 1
1 1095 . 11 1 1 A 80 80 PHE CB C 79 42.282 42.646 -0.364 1
1 1099 . 11 1 1 A 80 80 PHE N N 79 118.988 122.112 -3.124 1
1 1100 . 11 1 1 A 81 81 PHE H H 80 8.507 9.073 -0.566 1
1 1101 . 11 1 1 A 81 81 PHE HA H 80 4.421 4.501 -0.080 1
1 1109 . 11 1 1 A 81 81 PHE C C 80 172.644 173.858 -1.214 1
1 1110 . 11 1 1 A 81 81 PHE CA C 80 56.711 55.837 0.874 1
1 1111 . 11 1 1 A 81 81 PHE CB C 80 41.880 41.690 0.190 1
1 1115 . 11 1 1 A 81 81 PHE N N 80 126.042 125.072 0.970 1
1 1116 . 11 1 1 A 82 82 LEU H H 81 8.199 8.459 -0.260 1
1 1117 . 11 1 1 A 82 82 LEU HA H 81 4.883 4.851 0.032 1
1 1127 . 11 1 1 A 82 82 LEU C C 81 174.440 174.641 -0.201 1
1 1128 . 11 1 1 A 82 82 LEU CA C 81 53.153 54.167 -1.014 1
1 1129 . 11 1 1 A 82 82 LEU CB C 81 45.520 43.581 1.939 1
1 1133 . 11 1 1 A 82 82 LEU N N 81 121.512 126.292 -4.780 1
1 1134 . 11 1 1 A 83 83 LEU H H 82 9.349 9.738 -0.389 1
1 1135 . 11 1 1 A 83 83 LEU HA H 82 4.810 5.115 -0.305 1
1 1145 . 11 1 1 A 83 83 LEU C C 82 177.075 175.538 1.537 1
1 1146 . 11 1 1 A 83 83 LEU CA C 82 54.122 53.419 0.703 1
1 1147 . 11 1 1 A 83 83 LEU CB C 82 43.394 42.377 1.017 1
1 1151 . 11 1 1 A 83 83 LEU N N 82 125.253 128.538 -3.285 1
1 1152 . 11 1 1 A 84 84 VAL H H 83 8.681 9.076 -0.395 1
1 1153 . 11 1 1 A 84 84 VAL HA H 83 4.411 4.221 0.190 1
1 1161 . 11 1 1 A 84 84 VAL C C 83 175.797 176.147 -0.350 1
1 1162 . 11 1 1 A 84 84 VAL CA C 83 61.630 61.453 0.177 1
1 1163 . 11 1 1 A 84 84 VAL CB C 83 33.647 31.158 2.489 1
1 1166 . 11 1 1 A 84 84 VAL N N 83 123.543 125.038 -1.495 1
1 1167 . 11 1 1 A 85 85 ASN H H 84 9.622 9.045 0.577 1
1 1168 . 11 1 1 A 85 85 ASN HA H 84 4.399 4.603 -0.204 1
1 1173 . 11 1 1 A 85 85 ASN C C 84 175.042 175.006 0.036 1
1 1174 . 11 1 1 A 85 85 ASN CA C 84 54.610 54.244 0.366 1
1 1175 . 11 1 1 A 85 85 ASN CB C 84 37.927 36.923 1.004 1
1 1177 . 11 1 1 A 85 85 ASN N N 84 125.848 127.233 -1.385 1
1 1179 . 11 1 1 A 86 86 GLY H H 85 8.551 8.287 0.264 1
1 1180 . 11 1 1 A 86 86 GLY HA2 H 85 3.368 3.928 -0.560 1
1 1181 . 11 1 1 A 86 86 GLY HA3 H 85 4.064 3.928 0.136 1
1 1182 . 11 1 1 A 86 86 GLY C C 85 173.524 173.681 -0.157 1
1 1183 . 11 1 1 A 86 86 GLY CA C 85 45.588 45.248 0.340 1
1 1184 . 11 1 1 A 86 86 GLY N N 85 101.093 104.326 -3.233 1
1 1185 . 11 1 1 A 87 87 HIS H H 86 7.906 7.271 0.635 1
1 1186 . 11 1 1 A 87 87 HIS HA H 86 5.003 5.229 -0.226 1
1 1191 . 11 1 1 A 87 87 HIS C C 86 173.910 174.323 -0.413 1
1 1192 . 11 1 1 A 87 87 HIS CA C 86 54.213 53.669 0.544 1
1 1193 . 11 1 1 A 87 87 HIS CB C 86 31.482 32.689 -1.207 1
1 1196 . 11 1 1 A 87 87 HIS N N 86 117.253 115.930 1.323 1
1 1197 . 11 1 1 A 88 88 SER H H 87 8.846 9.045 -0.199 1
1 1198 . 11 1 1 A 88 88 SER HA H 87 4.702 4.502 0.200 1
1 1201 . 11 1 1 A 88 88 SER C C 87 175.739 175.283 0.456 1
1 1202 . 11 1 1 A 88 88 SER CA C 87 58.245 58.130 0.115 1
1 1203 . 11 1 1 A 88 88 SER CB C 87 63.764 64.953 -1.189 1
1 1204 . 11 1 1 A 88 88 SER N N 87 117.469 115.597 1.872 1
1 1205 . 11 1 1 A 89 89 MET H H 88 9.174 8.451 0.723 1
1 1206 . 11 1 1 A 89 89 MET HA H 88 4.820 4.928 -0.108 1
1 1214 . 11 1 1 A 89 89 MET C C 88 176.294 177.109 -0.815 1
1 1215 . 11 1 1 A 89 89 MET CA C 88 54.853 54.157 0.696 1
1 1216 . 11 1 1 A 89 89 MET CB C 88 33.183 32.133 1.050 1
1 1219 . 11 1 1 A 89 89 MET N N 88 125.111 118.727 6.384 1
1 1220 . 11 1 1 A 90 90 VAL H H 89 8.217 7.785 0.432 1
1 1221 . 11 1 1 A 90 90 VAL HA H 89 4.063 3.769 0.294 1
1 1229 . 11 1 1 A 90 90 VAL C C 89 176.249 175.876 0.373 1
1 1230 . 11 1 1 A 90 90 VAL CA C 89 63.377 64.865 -1.488 1
1 1231 . 11 1 1 A 90 90 VAL CB C 89 32.473 31.714 0.759 1
1 1234 . 11 1 1 A 90 90 VAL N N 89 120.477 120.301 0.176 1
1 1235 . 11 1 1 A 91 91 SER H H 90 8.356 7.824 0.532 1
1 1236 . 11 1 1 A 91 91 SER HA H 90 4.614 4.875 -0.261 1
1 1239 . 11 1 1 A 91 91 SER C C 90 175.841 172.539 3.302 1
1 1240 . 11 1 1 A 91 91 SER CA C 90 57.860 56.699 1.161 1
1 1241 . 11 1 1 A 91 91 SER CB C 90 63.398 64.050 -0.652 1
1 1242 . 11 1 1 A 91 91 SER N N 90 116.676 116.263 0.413 1
1 1243 . 11 1 1 A 92 92 VAL H H 91 8.158 8.953 -0.795 1
1 1244 . 11 1 1 A 92 92 VAL HA H 91 4.245 4.718 -0.473 1
1 1252 . 11 1 1 A 92 92 VAL C C 91 175.856 176.092 -0.236 1
1 1253 . 11 1 1 A 92 92 VAL CA C 91 63.121 61.376 1.745 1
1 1254 . 11 1 1 A 92 92 VAL CB C 91 31.872 32.777 -0.905 1
1 1257 . 11 1 1 A 92 92 VAL N N 91 119.994 129.606 -9.612 1
1 1258 . 11 1 1 A 93 93 SER H H 92 8.368 8.532 -0.164 1
1 1259 . 11 1 1 A 93 93 SER HA H 92 4.581 4.814 -0.233 1
1 1262 . 11 1 1 A 93 93 SER C C 92 174.154 173.727 0.427 1
1 1263 . 11 1 1 A 93 93 SER CA C 92 57.706 57.101 0.605 1
1 1264 . 11 1 1 A 93 93 SER CB C 92 63.126 64.598 -1.472 1
1 1265 . 11 1 1 A 93 93 SER N N 92 116.504 121.836 -5.332 1
1 1266 . 11 1 1 A 94 94 THR H H 93 7.427 7.634 -0.207 1
1 1267 . 11 1 1 A 94 94 THR HA H 93 4.464 4.647 -0.183 1
1 1272 . 11 1 1 A 94 94 THR CA C 93 61.032 59.139 1.893 1
1 1273 . 11 1 1 A 94 94 THR CB C 93 70.505 71.458 -0.953 1
1 1275 . 11 1 1 A 94 94 THR N N 93 119.172 116.767 2.405 1
1 1276 . 11 1 1 A 95 95 PRO HA H 94 4.426 4.714 -0.288 1
1 1283 . 11 1 1 A 95 95 PRO C C 94 178.692 178.060 0.632 1
1 1284 . 11 1 1 A 95 95 PRO CA C 94 62.921 62.735 0.186 1
1 1285 . 11 1 1 A 95 95 PRO CB C 94 32.774 32.362 0.412 1
1 1288 . 11 1 1 A 96 96 ILE H H 95 9.324 8.979 0.345 1
1 1289 . 11 1 1 A 96 96 ILE HA H 95 3.956 3.987 -0.031 1
1 1299 . 11 1 1 A 96 96 ILE C C 95 176.415 177.077 -0.662 1
1 1300 . 11 1 1 A 96 96 ILE CA C 95 63.880 63.589 0.291 1
1 1301 . 11 1 1 A 96 96 ILE CB C 95 38.055 37.925 0.130 1
1 1305 . 11 1 1 A 96 96 ILE N N 95 123.862 125.744 -1.882 1
1 1306 . 11 1 1 A 97 97 SER H H 96 8.211 8.384 -0.173 1
1 1307 . 11 1 1 A 97 97 SER HA H 96 3.978 4.108 -0.130 1
1 1310 . 11 1 1 A 97 97 SER C C 96 176.494 177.388 -0.894 1
1 1311 . 11 1 1 A 97 97 SER CA C 96 61.576 61.399 0.177 1
1 1312 . 11 1 1 A 97 97 SER CB C 96 61.262 62.357 -1.095 1
1 1313 . 11 1 1 A 97 97 SER N N 96 116.529 117.293 -0.764 1
1 1314 . 11 1 1 A 98 98 GLU H H 97 7.329 7.993 -0.664 1
1 1315 . 11 1 1 A 98 98 GLU HA H 97 4.290 4.220 0.070 1
1 1320 . 11 1 1 A 98 98 GLU C C 97 179.288 179.074 0.214 1
1 1321 . 11 1 1 A 98 98 GLU CA C 97 58.705 59.369 -0.664 1
1 1322 . 11 1 1 A 98 98 GLU CB C 97 29.791 30.218 -0.427 1
1 1324 . 11 1 1 A 98 98 GLU N N 97 122.955 122.590 0.365 1
1 1325 . 11 1 1 A 99 99 VAL H H 98 7.386 8.270 -0.884 1
1 1326 . 11 1 1 A 99 99 VAL HA H 98 3.815 3.773 0.042 1
1 1334 . 11 1 1 A 99 99 VAL C C 98 177.662 178.161 -0.499 1
1 1335 . 11 1 1 A 99 99 VAL CA C 98 65.774 66.024 -0.250 1
1 1336 . 11 1 1 A 99 99 VAL CB C 98 32.047 31.722 0.325 1
1 1339 . 11 1 1 A 99 99 VAL N N 98 120.888 120.596 0.292 1
1 1340 . 11 1 1 A 100 100 TYR H H 99 8.984 7.768 1.216 1
1 1341 . 11 1 1 A 100 100 TYR HA H 99 4.013 4.192 -0.179 1
1 1348 . 11 1 1 A 100 100 TYR C C 99 176.355 178.228 -1.873 1
1 1349 . 11 1 1 A 100 100 TYR CA C 99 62.118 61.630 0.488 1
1 1350 . 11 1 1 A 100 100 TYR CB C 99 38.921 38.746 0.175 1
1 1353 . 11 1 1 A 100 100 TYR N N 99 118.874 120.774 -1.900 1
1 1354 . 11 1 1 A 101 101 GLU H H 100 7.433 8.619 -1.186 1
1 1355 . 11 1 1 A 101 101 GLU HA H 100 3.833 4.010 -0.177 1
1 1360 . 11 1 1 A 101 101 GLU C C 100 177.674 176.822 0.852 1
1 1361 . 11 1 1 A 101 101 GLU CA C 100 58.895 57.945 0.950 1
1 1362 . 11 1 1 A 101 101 GLU CB C 100 29.577 28.531 1.046 1
1 1364 . 11 1 1 A 101 101 GLU N N 100 114.383 117.671 -3.288 1
1 1365 . 11 1 1 A 102 102 SER H H 101 7.423 8.188 -0.765 1
1 1366 . 11 1 1 A 102 102 SER HA H 101 4.552 4.651 -0.099 1
1 1369 . 11 1 1 A 102 102 SER C C 101 176.554 174.618 1.936 1
1 1370 . 11 1 1 A 102 102 SER CA C 101 60.200 58.638 1.562 1
1 1371 . 11 1 1 A 102 102 SER CB C 101 64.828 64.144 0.684 1
1 1372 . 11 1 1 A 102 102 SER N N 101 108.722 115.213 -6.491 1
1 1373 . 11 1 1 A 103 103 GLU H H 102 8.488 7.937 0.551 1
1 1374 . 11 1 1 A 103 103 GLU HA H 102 4.752 4.469 0.283 1
1 1379 . 11 1 1 A 103 103 GLU C C 102 176.653 176.394 0.259 1
1 1380 . 11 1 1 A 103 103 GLU CA C 102 55.464 57.438 -1.974 1
1 1381 . 11 1 1 A 103 103 GLU CB C 102 30.611 31.741 -1.130 1
1 1383 . 11 1 1 A 103 103 GLU N N 102 116.116 118.443 -2.327 1
1 1384 . 11 1 1 A 104 104 ARG H H 103 7.511 7.694 -0.183 1
1 1385 . 11 1 1 A 104 104 ARG HA H 103 4.241 4.272 -0.031 1
1 1392 . 11 1 1 A 104 104 ARG C C 103 174.634 174.998 -0.364 1
1 1393 . 11 1 1 A 104 104 ARG CA C 103 56.926 56.213 0.713 1
1 1394 . 11 1 1 A 104 104 ARG CB C 103 29.713 30.043 -0.330 1
1 1397 . 11 1 1 A 104 104 ARG N N 103 117.180 118.712 -1.532 1
1 1398 . 11 1 1 A 105 105 ASP H H 104 9.069 8.187 0.882 1
1 1399 . 11 1 1 A 105 105 ASP HA H 104 4.774 4.978 -0.204 1
1 1402 . 11 1 1 A 105 105 ASP C C 104 177.460 176.496 0.964 1
1 1403 . 11 1 1 A 105 105 ASP CA C 104 53.852 52.012 1.840 1
1 1404 . 11 1 1 A 105 105 ASP CB C 104 43.424 44.193 -0.769 1
1 1405 . 11 1 1 A 105 105 ASP N N 104 123.349 122.484 0.865 1
1 1406 . 11 1 1 A 106 106 GLU H H 105 8.982 8.942 0.040 1
1 1407 . 11 1 1 A 106 106 GLU HA H 105 4.199 3.982 0.217 1
1 1412 . 11 1 1 A 106 106 GLU C C 105 177.398 177.972 -0.574 1
1 1413 . 11 1 1 A 106 106 GLU CA C 105 59.413 59.998 -0.585 1
1 1414 . 11 1 1 A 106 106 GLU CB C 105 29.983 29.410 0.573 1
1 1416 . 11 1 1 A 106 106 GLU N N 105 125.197 123.114 2.083 1
1 1417 . 11 1 1 A 107 107 ASP H H 106 9.873 7.902 1.971 1
1 1418 . 11 1 1 A 107 107 ASP HA H 106 4.211 4.200 0.011 1
1 1421 . 11 1 1 A 107 107 ASP C C 106 175.775 176.749 -0.974 1
1 1422 . 11 1 1 A 107 107 ASP CA C 106 54.698 55.572 -0.874 1
1 1423 . 11 1 1 A 107 107 ASP CB C 106 40.187 41.002 -0.815 1
1 1424 . 11 1 1 A 107 107 ASP N N 106 118.717 117.104 1.613 1
1 1425 . 11 1 1 A 108 108 GLY H H 107 7.971 8.409 -0.438 1
1 1426 . 11 1 1 A 108 108 GLY HA2 H 107 3.431 3.889 -0.458 1
1 1427 . 11 1 1 A 108 108 GLY HA3 H 107 4.526 3.922 0.604 1
1 1428 . 11 1 1 A 108 108 GLY C C 107 175.138 173.928 1.210 1
1 1429 . 11 1 1 A 108 108 GLY CA C 107 45.029 45.584 -0.555 1
1 1430 . 11 1 1 A 108 108 GLY N N 107 105.017 108.625 -3.608 1
1 1431 . 11 1 1 A 109 109 PHE H H 108 9.799 7.619 2.180 1
1 1432 . 11 1 1 A 109 109 PHE HA H 108 4.607 4.910 -0.303 1
1 1440 . 11 1 1 A 109 109 PHE C C 108 175.171 174.689 0.482 1
1 1441 . 11 1 1 A 109 109 PHE CA C 108 60.222 56.715 3.507 1
1 1442 . 11 1 1 A 109 109 PHE CB C 108 40.433 42.541 -2.108 1
1 1446 . 11 1 1 A 109 109 PHE N N 108 123.309 119.142 4.167 1
1 1447 . 11 1 1 A 110 110 LEU H H 109 8.061 8.708 -0.647 1
1 1448 . 11 1 1 A 110 110 LEU HA H 109 5.022 4.361 0.661 1
1 1458 . 11 1 1 A 110 110 LEU C C 109 174.033 175.576 -1.543 1
1 1459 . 11 1 1 A 110 110 LEU CA C 109 53.539 54.731 -1.192 1
1 1460 . 11 1 1 A 110 110 LEU CB C 109 45.284 42.742 2.542 1
1 1464 . 11 1 1 A 110 110 LEU N N 109 119.999 125.999 -6.000 1
1 1465 . 11 1 1 A 111 111 TYR H H 110 9.363 9.154 0.209 1
1 1466 . 11 1 1 A 111 111 TYR HA H 110 4.906 5.290 -0.384 1
1 1473 . 11 1 1 A 111 111 TYR C C 110 176.538 174.698 1.840 1
1 1474 . 11 1 1 A 111 111 TYR CA C 110 59.335 56.635 2.700 1
1 1475 . 11 1 1 A 111 111 TYR CB C 110 39.485 40.463 -0.978 1
1 1478 . 11 1 1 A 111 111 TYR N N 110 126.322 121.374 4.948 1
1 1479 . 11 1 1 A 112 112 MET H H 111 9.496 8.951 0.545 1
1 1480 . 11 1 1 A 112 112 MET HA H 111 5.522 5.376 0.146 1
1 1488 . 11 1 1 A 112 112 MET C C 111 175.676 174.462 1.214 1
1 1489 . 11 1 1 A 112 112 MET CA C 111 54.216 54.338 -0.122 1
1 1490 . 11 1 1 A 112 112 MET CB C 111 36.821 36.916 -0.095 1
1 1493 . 11 1 1 A 112 112 MET N N 111 119.003 124.008 -5.005 1
1 1494 . 11 1 1 A 113 113 VAL H H 112 8.749 8.869 -0.120 1
1 1495 . 11 1 1 A 113 113 VAL HA H 112 5.967 4.929 1.038 1
1 1503 . 11 1 1 A 113 113 VAL C C 112 174.893 175.172 -0.279 1
1 1504 . 11 1 1 A 113 113 VAL CA C 112 58.896 61.222 -2.326 1
1 1505 . 11 1 1 A 113 113 VAL CB C 112 36.149 34.142 2.007 1
1 1508 . 11 1 1 A 113 113 VAL N N 112 119.658 121.933 -2.275 1
1 1509 . 11 1 1 A 114 114 TYR H H 113 8.210 8.532 -0.322 1
1 1510 . 11 1 1 A 114 114 TYR HA H 113 6.141 5.971 0.170 1
1 1517 . 11 1 1 A 114 114 TYR C C 113 173.353 173.977 -0.624 1
1 1518 . 11 1 1 A 114 114 TYR CA C 113 54.161 55.045 -0.884 1
1 1519 . 11 1 1 A 114 114 TYR CB C 113 43.538 42.426 1.112 1
1 1522 . 11 1 1 A 114 114 TYR N N 113 118.947 124.620 -5.673 1
1 1523 . 11 1 1 A 115 115 ALA H H 114 8.483 8.712 -0.229 1
1 1524 . 11 1 1 A 115 115 ALA HA H 114 4.762 4.830 -0.068 1
1 1528 . 11 1 1 A 115 115 ALA C C 114 176.033 176.829 -0.796 1
1 1529 . 11 1 1 A 115 115 ALA CA C 114 51.223 51.343 -0.120 1
1 1530 . 11 1 1 A 115 115 ALA CB C 114 24.521 22.590 1.931 1
1 1531 . 11 1 1 A 115 115 ALA N N 114 119.557 121.819 -2.262 1
1 1532 . 11 1 1 A 116 116 SER H H 115 9.835 8.789 1.046 1
1 1533 . 11 1 1 A 116 116 SER HA H 115 4.497 4.721 -0.224 1
1 1536 . 11 1 1 A 116 116 SER C C 115 172.664 173.764 -1.100 1
1 1537 . 11 1 1 A 116 116 SER CA C 115 58.669 58.027 0.642 1
1 1538 . 11 1 1 A 116 116 SER CB C 115 63.570 63.449 0.121 1
1 1539 . 11 1 1 A 116 116 SER N N 115 114.435 114.598 -0.163 1
1 1540 . 11 1 1 A 117 117 GLN H H 116 7.180 7.532 -0.352 1
1 1541 . 11 1 1 A 117 117 GLN HA H 116 4.460 4.910 -0.450 1
1 1548 . 11 1 1 A 117 117 GLN C C 116 172.901 175.296 -2.395 1
1 1549 . 11 1 1 A 117 117 GLN CA C 116 53.974 54.524 -0.550 1
1 1550 . 11 1 1 A 117 117 GLN CB C 116 32.192 31.873 0.319 1
1 1553 . 11 1 1 A 117 117 GLN N N 116 116.449 117.358 -0.909 1
1 1555 . 11 1 1 A 118 118 GLU H H 117 7.878 8.833 -0.955 1
1 1556 . 11 1 1 A 118 118 GLU HA H 117 3.259 4.485 -1.226 1
1 1561 . 11 1 1 A 118 118 GLU C C 117 175.233 176.797 -1.564 1
1 1562 . 11 1 1 A 118 118 GLU CA C 117 56.890 56.684 0.206 1
1 1563 . 11 1 1 A 118 118 GLU CB C 117 30.325 30.518 -0.193 1
1 1565 . 11 1 1 A 118 118 GLU N N 117 117.687 122.881 -5.194 1
1 1566 . 11 1 1 A 119 119 THR H H 118 6.968 7.517 -0.549 1
1 1567 . 11 1 1 A 119 119 THR HA H 118 4.082 4.476 -0.394 1
1 1572 . 11 1 1 A 119 119 THR C C 118 173.134 174.671 -1.537 1
1 1573 . 11 1 1 A 119 119 THR CA C 118 60.123 59.739 0.384 1
1 1574 . 11 1 1 A 119 119 THR CB C 118 70.147 68.583 1.564 1
1 1576 . 11 1 1 A 119 119 THR N N 118 109.548 108.809 0.739 1
1 1577 . 11 1 1 A 120 120 PHE H H 119 8.138 8.161 -0.023 1
1 1578 . 11 1 1 A 120 120 PHE HA H 119 4.436 4.701 -0.265 1
1 1586 . 11 1 1 A 120 120 PHE C C 119 174.902 177.089 -2.187 1
1 1587 . 11 1 1 A 120 120 PHE CA C 119 56.750 57.897 -1.147 1
1 1588 . 11 1 1 A 120 120 PHE CB C 119 39.411 41.090 -1.679 1
1 1592 . 11 1 1 A 120 120 PHE N N 119 121.777 120.962 0.815 1
1 1607 . 11 2 2 B 2 2 SER H H 332 8.471 8.904 -0.433 1
1 1608 . 11 2 2 B 2 2 SER HA H 332 4.484 5.173 -0.689 1
1 1611 . 11 2 2 B 2 2 SER C C 332 174.962 173.385 1.577 1
1 1612 . 11 2 2 B 2 2 SER CA C 332 88.436 57.296 31.140 1
1 1613 . 11 2 2 B 2 2 SER CB C 332 93.927 64.968 28.959 1
1 1614 . 11 2 2 B 2 2 SER N N 332 147.261 122.489 24.772 1
1 1615 . 11 2 2 B 3 3 GLY H H 333 8.601 9.009 -0.408 1
1 1616 . 11 2 2 B 3 3 GLY HA2 H 333 4.022 4.137 -0.115 1
1 1617 . 11 2 2 B 3 3 GLY HA3 H 333 4.022 4.138 -0.116 1
1 1618 . 11 2 2 B 3 3 GLY C C 333 174.774 173.944 0.830 1
1 1619 . 11 2 2 B 3 3 GLY CA C 333 75.465 45.131 30.334 1
1 1620 . 11 2 2 B 3 3 GLY N N 333 141.077 113.871 27.206 1
1 1621 . 11 2 2 B 4 4 GLY H H 334 8.372 8.449 -0.077 1
1 1622 . 11 2 2 B 4 4 GLY HA2 H 334 3.980 4.204 -0.224 1
1 1623 . 11 2 2 B 4 4 GLY HA3 H 334 3.980 4.206 -0.226 1
1 1624 . 11 2 2 B 4 4 GLY C C 334 174.758 173.184 1.574 1
1 1625 . 11 2 2 B 4 4 GLY CA C 334 75.674 45.339 30.335 1
1 1626 . 11 2 2 B 4 4 GLY N N 334 138.894 111.308 27.586 1
1 1627 . 11 2 2 B 5 5 ASP H H 335 8.429 8.936 -0.507 1
1 1628 . 11 2 2 B 5 5 ASP HA H 335 4.610 5.243 -0.633 1
1 1631 . 11 2 2 B 5 5 ASP CA C 335 85.066 53.643 31.423 1
1 1632 . 11 2 2 B 5 5 ASP CB C 335 71.191 41.156 30.035 1
1 1633 . 11 2 2 B 5 5 ASP N N 335 149.637 121.400 28.237 1
1 1634 . 11 2 2 B 6 6 ASP H H 336 8.244 8.150 0.094 1
1 1635 . 11 2 2 B 6 6 ASP HA H 336 4.559 4.554 0.005 1
1 1638 . 11 2 2 B 6 6 ASP C C 336 175.432 175.929 -0.497 1
1 1639 . 11 2 2 B 6 6 ASP CA C 336 84.708 56.545 28.163 1
1 1640 . 11 2 2 B 6 6 ASP CB C 336 71.552 41.997 29.555 1
1 1641 . 11 2 2 B 6 6 ASP N N 336 148.885 119.425 29.460 1
1 1642 . 11 2 2 B 7 7 ASP H H 337 7.803 7.876 -0.073 1
1 1643 . 11 2 2 B 7 7 ASP HA H 337 4.655 5.032 -0.377 1
1 1646 . 11 2 2 B 7 7 ASP C C 337 175.362 175.064 0.298 1
1 1647 . 11 2 2 B 7 7 ASP CA C 337 83.670 52.670 31.000 1
1 1648 . 11 2 2 B 7 7 ASP CB C 337 71.933 42.727 29.206 1
1 1649 . 11 2 2 B 7 7 ASP N N 337 149.563 117.427 32.136 1
1 1650 . 11 2 2 B 8 8 TRP H H 338 8.472 8.472 0.000 1
1 1651 . 11 2 2 B 8 8 TRP HA H 338 4.174 4.788 -0.614 1
1 1660 . 11 2 2 B 8 8 TRP C C 338 175.959 176.421 -0.462 1
1 1661 . 11 2 2 B 8 8 TRP CA C 338 87.020 57.597 29.423 1
1 1662 . 11 2 2 B 8 8 TRP CB C 338 61.223 30.184 31.039 1
1 1668 . 11 2 2 B 8 8 TRP N N 338 150.172 125.611 24.561 1
1 1670 . 11 2 2 B 9 9 THR H H 339 7.994 8.535 -0.541 1
1 1671 . 11 2 2 B 9 9 THR HA H 339 4.533 4.646 -0.113 1
1 1676 . 11 2 2 B 9 9 THR C C 339 174.035 174.065 -0.030 1
1 1677 . 11 2 2 B 9 9 THR CA C 339 92.659 60.756 31.903 1
1 1678 . 11 2 2 B 9 9 THR CB C 339 99.436 70.678 28.758 1
1 1680 . 11 2 2 B 9 9 THR N N 339 149.503 115.503 34.000 1
1 1681 . 11 2 2 B 10 10 HIS H H 340 9.463 8.151 1.312 1
1 1682 . 11 2 2 B 10 10 HIS HA H 340 4.677 5.641 -0.964 1
1 1687 . 11 2 2 B 10 10 HIS C C 340 175.606 174.357 1.249 1
1 1688 . 11 2 2 B 10 10 HIS CA C 340 87.024 53.789 33.235 1
1 1689 . 11 2 2 B 10 10 HIS CB C 340 61.368 31.928 29.440 1
1 1692 . 11 2 2 B 10 10 HIS N N 340 159.135 119.286 39.849 1
1 1693 . 11 2 2 B 11 11 LEU H H 341 8.398 9.065 -0.667 1
1 1694 . 11 2 2 B 11 11 LEU HA H 341 4.848 5.015 -0.167 1
1 1704 . 11 2 2 B 11 11 LEU C C 341 175.919 176.025 -0.106 1
1 1705 . 11 2 2 B 11 11 LEU CA C 341 83.684 53.721 29.963 1
1 1706 . 11 2 2 B 11 11 LEU CB C 341 73.601 43.041 30.560 1
1 1710 . 11 2 2 B 11 11 LEU N N 341 153.300 125.000 28.300 1
1 1711 . 11 2 2 B 12 12 SER H H 342 8.382 9.301 -0.919 1
1 1712 . 11 2 2 B 12 12 SER HA H 342 4.652 5.168 -0.516 1
1 1715 . 11 2 2 B 12 12 SER C C 342 174.263 174.517 -0.254 1
1 1716 . 11 2 2 B 12 12 SER CA C 342 86.841 57.748 29.093 1
1 1717 . 11 2 2 B 12 12 SER CB C 342 95.113 65.083 30.030 1
1 1718 . 11 2 2 B 12 12 SER N N 342 144.018 123.058 20.960 1
1 1719 . 11 2 2 B 13 13 SER H H 343 8.937 8.894 0.043 1
1 1720 . 11 2 2 B 13 13 SER HA H 343 4.291 4.474 -0.183 1
1 1723 . 11 2 2 B 13 13 SER C C 343 174.652 175.022 -0.370 1
1 1724 . 11 2 2 B 13 13 SER CA C 343 89.546 59.643 29.903 1
1 1725 . 11 2 2 B 13 13 SER CB C 343 93.470 63.372 30.098 1
1 1726 . 11 2 2 B 13 13 SER N N 343 148.575 120.652 27.923 1
1 1727 . 11 2 2 B 14 14 LYS H H 344 8.250 8.165 0.085 1
1 1728 . 11 2 2 B 14 14 LYS HA H 344 4.319 4.387 -0.068 1
1 1737 . 11 2 2 B 14 14 LYS C C 344 176.699 177.497 -0.798 1
1 1738 . 11 2 2 B 14 14 LYS CA C 344 86.716 57.728 28.988 1
1 1739 . 11 2 2 B 14 14 LYS CB C 344 62.831 33.582 29.249 1
1 1743 . 11 2 2 B 14 14 LYS N N 344 151.908 119.365 32.543 1
1 1744 . 11 2 2 B 15 15 GLU H H 345 8.256 7.721 0.535 1
1 1745 . 11 2 2 B 15 15 GLU HA H 345 4.240 4.428 -0.188 1
1 1750 . 11 2 2 B 15 15 GLU C C 345 176.152 176.156 -0.004 1
1 1751 . 11 2 2 B 15 15 GLU CA C 345 87.152 56.375 30.777 1
1 1752 . 11 2 2 B 15 15 GLU CB C 345 60.176 30.407 29.769 1
1 1754 . 11 2 2 B 15 15 GLU N N 345 150.679 117.998 32.681 1
1 1755 . 11 2 2 B 16 16 VAL H H 346 7.762 7.360 0.402 1
1 1756 . 11 2 2 B 16 16 VAL HA H 346 4.161 4.147 0.014 1
1 1764 . 11 2 2 B 16 16 VAL C C 346 174.646 175.603 -0.957 1
1 1765 . 11 2 2 B 16 16 VAL CA C 346 91.707 61.355 30.352 1
1 1766 . 11 2 2 B 16 16 VAL CB C 346 63.107 33.407 29.700 1
1 1769 . 11 2 2 B 16 16 VAL N N 346 146.718 117.336 29.382 1
1 9 . 12 1 1 A 2 2 MET H H 1 8.414 8.879 -0.465 1
1 10 . 12 1 1 A 2 2 MET HA H 1 4.826 4.949 -0.123 1
1 18 . 12 1 1 A 2 2 MET CA C 1 53.382 53.024 0.358 1
1 19 . 12 1 1 A 2 2 MET CB C 1 32.478 35.505 -3.027 1
1 22 . 12 1 1 A 2 2 MET N N 1 122.882 125.770 -2.888 1
1 23 . 12 1 1 A 3 3 PRO HA H 2 4.425 4.375 0.050 1
1 30 . 12 1 1 A 3 3 PRO C C 2 176.847 176.378 0.469 1
1 31 . 12 1 1 A 3 3 PRO CA C 2 63.386 66.076 -2.690 1
1 32 . 12 1 1 A 3 3 PRO CB C 2 32.077 31.443 0.634 1
1 35 . 12 1 1 A 4 4 SER H H 3 8.347 8.098 0.249 1
1 36 . 12 1 1 A 4 4 SER HA H 3 4.391 4.854 -0.463 1
1 39 . 12 1 1 A 4 4 SER C C 3 174.643 173.097 1.546 1
1 40 . 12 1 1 A 4 4 SER CA C 3 58.336 55.900 2.436 1
1 41 . 12 1 1 A 4 4 SER CB C 3 63.798 65.439 -1.641 1
1 42 . 12 1 1 A 4 4 SER N N 3 115.234 111.514 3.720 1
1 43 . 12 1 1 A 5 5 GLU H H 4 8.472 8.352 0.120 1
1 44 . 12 1 1 A 5 5 GLU HA H 4 4.297 4.240 0.057 1
1 49 . 12 1 1 A 5 5 GLU C C 4 176.352 176.640 -0.288 1
1 50 . 12 1 1 A 5 5 GLU CA C 4 56.572 56.986 -0.414 1
1 51 . 12 1 1 A 5 5 GLU CB C 4 30.285 29.850 0.435 1
1 53 . 12 1 1 A 5 5 GLU N N 4 123.045 123.480 -0.435 1
1 54 . 12 1 1 A 6 6 LYS H H 5 8.214 8.469 -0.255 1
1 55 . 12 1 1 A 6 6 LYS HA H 5 4.500 4.339 0.161 1
1 64 . 12 1 1 A 6 6 LYS C C 5 177.243 176.019 1.224 1
1 65 . 12 1 1 A 6 6 LYS CA C 5 55.943 56.536 -0.593 1
1 66 . 12 1 1 A 6 6 LYS CB C 5 34.621 33.233 1.388 1
1 70 . 12 1 1 A 6 6 LYS N N 5 121.467 126.325 -4.858 1
1 71 . 12 1 1 A 7 7 THR H H 6 8.431 8.271 0.160 1
1 72 . 12 1 1 A 7 7 THR HA H 6 4.383 4.684 -0.301 1
1 77 . 12 1 1 A 7 7 THR C C 6 175.360 175.532 -0.172 1
1 78 . 12 1 1 A 7 7 THR CA C 6 61.124 59.767 1.357 1
1 79 . 12 1 1 A 7 7 THR CB C 6 69.863 70.510 -0.647 1
1 81 . 12 1 1 A 7 7 THR N N 6 114.691 115.021 -0.330 1
1 82 . 12 1 1 A 8 8 PHE H H 7 10.194 9.227 0.967 1
1 83 . 12 1 1 A 8 8 PHE HA H 7 3.904 4.233 -0.329 1
1 88 . 12 1 1 A 8 8 PHE C C 7 177.000 177.754 -0.754 1
1 89 . 12 1 1 A 8 8 PHE CA C 7 63.388 60.815 2.573 1
1 90 . 12 1 1 A 8 8 PHE CB C 7 39.586 38.859 0.727 1
1 92 . 12 1 1 A 8 8 PHE N N 7 124.861 127.816 -2.955 1
1 93 . 12 1 1 A 9 9 LYS H H 8 8.707 8.274 0.433 1
1 94 . 12 1 1 A 9 9 LYS HA H 8 3.761 4.099 -0.338 1
1 103 . 12 1 1 A 9 9 LYS C C 8 177.496 178.909 -1.413 1
1 104 . 12 1 1 A 9 9 LYS CA C 8 59.945 59.242 0.703 1
1 105 . 12 1 1 A 9 9 LYS CB C 8 33.870 31.749 2.121 1
1 109 . 12 1 1 A 9 9 LYS N N 8 114.189 117.639 -3.450 1
1 110 . 12 1 1 A 10 10 GLN H H 9 7.284 8.233 -0.949 1
1 111 . 12 1 1 A 10 10 GLN HA H 9 4.113 4.102 0.011 1
1 118 . 12 1 1 A 10 10 GLN C C 9 177.416 178.032 -0.616 1
1 119 . 12 1 1 A 10 10 GLN CA C 9 56.743 58.400 -1.657 1
1 120 . 12 1 1 A 10 10 GLN CB C 9 30.002 28.852 1.150 1
1 123 . 12 1 1 A 10 10 GLN N N 9 112.843 119.092 -6.249 1
1 125 . 12 1 1 A 11 11 ARG H H 10 7.889 8.493 -0.604 1
1 126 . 12 1 1 A 11 11 ARG HA H 10 4.255 3.936 0.319 1
1 133 . 12 1 1 A 11 11 ARG C C 10 175.059 176.755 -1.696 1
1 134 . 12 1 1 A 11 11 ARG CA C 10 57.018 59.608 -2.590 1
1 135 . 12 1 1 A 11 11 ARG CB C 10 31.628 30.321 1.307 1
1 138 . 12 1 1 A 11 11 ARG N N 10 117.567 120.637 -3.070 1
1 139 . 12 1 1 A 12 12 ARG H H 11 7.443 7.911 -0.468 1
1 140 . 12 1 1 A 12 12 ARG HA H 11 4.493 4.272 0.221 1
1 147 . 12 1 1 A 12 12 ARG CA C 11 54.172 57.038 -2.866 1
1 148 . 12 1 1 A 12 12 ARG CB C 11 32.857 30.435 2.422 1
1 151 . 12 1 1 A 12 12 ARG N N 11 122.786 120.453 2.333 1
1 152 . 12 1 1 A 13 13 SER HA H 12 4.403 4.488 -0.085 1
1 155 . 12 1 1 A 13 13 SER C C 12 174.222 175.526 -1.304 1
1 156 . 12 1 1 A 13 13 SER CA C 12 58.274 60.076 -1.802 1
1 157 . 12 1 1 A 13 13 SER CB C 12 64.821 63.457 1.364 1
1 158 . 12 1 1 A 14 14 PHE H H 13 9.239 9.292 -0.053 1
1 159 . 12 1 1 A 14 14 PHE HA H 13 4.035 4.174 -0.139 1
1 165 . 12 1 1 A 14 14 PHE C C 13 176.023 177.019 -0.996 1
1 166 . 12 1 1 A 14 14 PHE CA C 13 62.790 62.530 0.260 1
1 167 . 12 1 1 A 14 14 PHE CB C 13 39.580 40.005 -0.425 1
1 169 . 12 1 1 A 14 14 PHE N N 13 123.729 126.631 -2.902 1
1 170 . 12 1 1 A 15 15 GLU H H 14 9.093 8.592 0.501 1
1 171 . 12 1 1 A 15 15 GLU HA H 14 3.813 3.886 -0.073 1
1 176 . 12 1 1 A 15 15 GLU C C 14 179.549 179.563 -0.014 1
1 177 . 12 1 1 A 15 15 GLU CA C 14 60.444 60.225 0.219 1
1 178 . 12 1 1 A 15 15 GLU CB C 14 28.804 29.184 -0.380 1
1 180 . 12 1 1 A 15 15 GLU N N 14 115.336 117.273 -1.937 1
1 181 . 12 1 1 A 16 16 GLN H H 15 7.752 8.327 -0.575 1
1 182 . 12 1 1 A 16 16 GLN HA H 15 4.044 4.210 -0.166 1
1 189 . 12 1 1 A 16 16 GLN C C 15 177.931 178.649 -0.718 1
1 190 . 12 1 1 A 16 16 GLN CA C 15 58.486 58.470 0.016 1
1 191 . 12 1 1 A 16 16 GLN CB C 15 29.393 28.569 0.824 1
1 194 . 12 1 1 A 16 16 GLN N N 15 119.145 119.283 -0.138 1
1 196 . 12 1 1 A 17 17 ARG H H 16 8.577 8.179 0.398 1
1 197 . 12 1 1 A 17 17 ARG HA H 16 4.280 4.407 -0.127 1
1 202 . 12 1 1 A 17 17 ARG C C 16 177.128 178.952 -1.824 1
1 203 . 12 1 1 A 17 17 ARG CA C 16 61.442 58.645 2.797 1
1 204 . 12 1 1 A 17 17 ARG N N 16 121.288 119.570 1.718 1
1 205 . 12 1 1 A 18 18 VAL H H 17 8.329 8.157 0.172 1
1 206 . 12 1 1 A 18 18 VAL HA H 17 3.938 3.599 0.339 1
1 214 . 12 1 1 A 18 18 VAL C C 17 179.744 178.170 1.574 1
1 215 . 12 1 1 A 18 18 VAL CA C 17 65.441 66.402 -0.961 1
1 216 . 12 1 1 A 18 18 VAL CB C 17 32.080 31.357 0.723 1
1 219 . 12 1 1 A 18 18 VAL N N 17 116.752 120.362 -3.610 1
1 220 . 12 1 1 A 19 19 GLU H H 18 7.445 7.867 -0.422 1
1 221 . 12 1 1 A 19 19 GLU HA H 18 4.270 4.003 0.267 1
1 226 . 12 1 1 A 19 19 GLU C C 18 177.625 178.145 -0.520 1
1 227 . 12 1 1 A 19 19 GLU CA C 18 58.637 59.104 -0.467 1
1 228 . 12 1 1 A 19 19 GLU CB C 18 29.398 29.205 0.193 1
1 230 . 12 1 1 A 19 19 GLU N N 18 120.323 120.033 0.290 1
1 231 . 12 1 1 A 20 20 ASP H H 19 8.690 8.423 0.267 1
1 232 . 12 1 1 A 20 20 ASP HA H 19 4.514 4.336 0.178 1
1 235 . 12 1 1 A 20 20 ASP C C 19 179.877 178.132 1.745 1
1 236 . 12 1 1 A 20 20 ASP CA C 19 57.224 57.840 -0.616 1
1 237 . 12 1 1 A 20 20 ASP CB C 19 41.487 41.918 -0.431 1
1 238 . 12 1 1 A 20 20 ASP N N 19 120.313 120.416 -0.103 1
1 239 . 12 1 1 A 21 21 VAL H H 20 7.731 7.663 0.068 1
1 240 . 12 1 1 A 21 21 VAL HA H 20 3.394 3.362 0.032 1
1 248 . 12 1 1 A 21 21 VAL C C 20 176.989 177.654 -0.665 1
1 249 . 12 1 1 A 21 21 VAL CA C 20 65.989 65.198 0.791 1
1 250 . 12 1 1 A 21 21 VAL CB C 20 31.291 31.107 0.184 1
1 253 . 12 1 1 A 21 21 VAL N N 20 119.119 118.096 1.023 1
1 254 . 12 1 1 A 22 22 ARG H H 21 8.313 8.140 0.173 1
1 255 . 12 1 1 A 22 22 ARG HA H 21 3.825 3.984 -0.159 1
1 263 . 12 1 1 A 22 22 ARG C C 21 180.178 178.086 2.092 1
1 264 . 12 1 1 A 22 22 ARG CA C 21 59.821 58.900 0.921 1
1 265 . 12 1 1 A 22 22 ARG CB C 21 30.164 30.001 0.163 1
1 269 . 12 1 1 A 22 22 ARG N N 21 120.772 121.438 -0.666 1
1 271 . 12 1 1 A 23 23 LEU H H 22 8.306 7.515 0.791 1
1 272 . 12 1 1 A 23 23 LEU HA H 22 4.076 3.924 0.152 1
1 282 . 12 1 1 A 23 23 LEU C C 22 180.221 179.127 1.094 1
1 283 . 12 1 1 A 23 23 LEU CA C 22 57.541 57.843 -0.302 1
1 284 . 12 1 1 A 23 23 LEU CB C 22 42.300 41.508 0.792 1
1 288 . 12 1 1 A 23 23 LEU N N 22 116.413 120.138 -3.725 1
1 289 . 12 1 1 A 24 24 ILE H H 23 7.864 7.681 0.183 1
1 290 . 12 1 1 A 24 24 ILE HA H 23 4.090 3.847 0.243 1
1 300 . 12 1 1 A 24 24 ILE C C 23 177.922 178.396 -0.474 1
1 301 . 12 1 1 A 24 24 ILE CA C 23 60.190 64.623 -4.433 1
1 302 . 12 1 1 A 24 24 ILE CB C 23 38.072 37.508 0.564 1
1 306 . 12 1 1 A 24 24 ILE N N 23 121.259 118.593 2.666 1
1 307 . 12 1 1 A 25 25 ARG H H 24 8.339 8.249 0.090 1
1 308 . 12 1 1 A 25 25 ARG HA H 24 3.973 3.949 0.024 1
1 316 . 12 1 1 A 25 25 ARG C C 24 178.479 178.355 0.124 1
1 317 . 12 1 1 A 25 25 ARG CA C 24 57.337 59.523 -2.186 1
1 318 . 12 1 1 A 25 25 ARG CB C 24 28.663 29.744 -1.081 1
1 322 . 12 1 1 A 25 25 ARG N N 24 121.816 121.742 0.074 1
1 324 . 12 1 1 A 26 26 GLU H H 25 7.133 8.480 -1.347 1
1 325 . 12 1 1 A 26 26 GLU HA H 25 4.052 4.181 -0.129 1
1 330 . 12 1 1 A 26 26 GLU C C 25 178.158 178.324 -0.166 1
1 331 . 12 1 1 A 26 26 GLU CA C 25 58.367 58.979 -0.612 1
1 332 . 12 1 1 A 26 26 GLU CB C 25 29.903 29.976 -0.073 1
1 334 . 12 1 1 A 26 26 GLU N N 25 116.794 118.248 -1.454 1
1 335 . 12 1 1 A 27 27 GLN H H 26 7.283 8.486 -1.203 1
1 336 . 12 1 1 A 27 27 GLN HA H 26 3.888 4.153 -0.265 1
1 343 . 12 1 1 A 27 27 GLN C C 26 176.088 175.972 0.116 1
1 344 . 12 1 1 A 27 27 GLN CA C 26 57.676 57.714 -0.038 1
1 345 . 12 1 1 A 27 27 GLN CB C 26 30.382 29.679 0.703 1
1 348 . 12 1 1 A 27 27 GLN N N 26 116.373 117.705 -1.332 1
1 350 . 12 1 1 A 28 28 HIS H H 27 8.223 8.408 -0.185 1
1 351 . 12 1 1 A 28 28 HIS HA H 27 4.941 5.068 -0.127 1
1 356 . 12 1 1 A 28 28 HIS CA C 27 53.278 53.272 0.006 1
1 357 . 12 1 1 A 28 28 HIS CB C 27 30.933 29.700 1.233 1
1 360 . 12 1 1 A 28 28 HIS N N 27 115.408 116.797 -1.389 1
1 361 . 12 1 1 A 29 29 PRO HA H 28 4.562 4.356 0.206 1
1 368 . 12 1 1 A 29 29 PRO C C 28 178.046 177.823 0.223 1
1 369 . 12 1 1 A 29 29 PRO CA C 28 64.821 64.586 0.235 1
1 370 . 12 1 1 A 29 29 PRO CB C 28 32.447 31.949 0.498 1
1 373 . 12 1 1 A 30 30 THR H H 29 7.820 7.741 0.079 1
1 374 . 12 1 1 A 30 30 THR HA H 29 4.583 4.360 0.223 1
1 379 . 12 1 1 A 30 30 THR C C 29 172.723 173.408 -0.685 1
1 380 . 12 1 1 A 30 30 THR CA C 29 60.826 62.038 -1.212 1
1 381 . 12 1 1 A 30 30 THR CB C 29 68.641 69.228 -0.587 1
1 383 . 12 1 1 A 30 30 THR N N 29 106.682 107.895 -1.213 1
1 384 . 12 1 1 A 31 31 LYS H H 30 7.453 7.257 0.196 1
1 385 . 12 1 1 A 31 31 LYS HA H 30 4.850 4.802 0.048 1
1 394 . 12 1 1 A 31 31 LYS C C 30 174.296 175.273 -0.977 1
1 395 . 12 1 1 A 31 31 LYS CA C 30 53.944 54.513 -0.569 1
1 396 . 12 1 1 A 31 31 LYS CB C 30 36.098 36.624 -0.526 1
1 400 . 12 1 1 A 31 31 LYS N N 30 117.809 120.235 -2.426 1
1 401 . 12 1 1 A 32 32 ILE H H 31 9.265 9.321 -0.056 1
1 402 . 12 1 1 A 32 32 ILE HA H 31 4.106 4.202 -0.096 1
1 412 . 12 1 1 A 32 32 ILE CA C 31 54.606 57.106 -2.500 1
1 413 . 12 1 1 A 32 32 ILE CB C 31 38.448 40.341 -1.893 1
1 417 . 12 1 1 A 32 32 ILE N N 31 122.497 121.914 0.583 1
1 418 . 12 1 1 A 33 33 PRO HA H 32 5.252 4.928 0.324 1
1 425 . 12 1 1 A 33 33 PRO C C 32 174.652 176.686 -2.034 1
1 426 . 12 1 1 A 33 33 PRO CA C 32 61.704 62.461 -0.757 1
1 427 . 12 1 1 A 33 33 PRO CB C 32 31.873 31.610 0.263 1
1 430 . 12 1 1 A 34 34 VAL H H 33 9.359 8.451 0.908 1
1 431 . 12 1 1 A 34 34 VAL HA H 33 5.298 5.226 0.072 1
1 439 . 12 1 1 A 34 34 VAL C C 33 173.633 175.018 -1.385 1
1 440 . 12 1 1 A 34 34 VAL CA C 33 59.830 59.360 0.470 1
1 441 . 12 1 1 A 34 34 VAL CB C 33 36.154 36.225 -0.071 1
1 444 . 12 1 1 A 34 34 VAL N N 33 124.496 116.656 7.840 1
1 445 . 12 1 1 A 35 35 ILE H H 34 8.667 9.079 -0.412 1
1 446 . 12 1 1 A 35 35 ILE HA H 34 4.867 5.217 -0.350 1
1 456 . 12 1 1 A 35 35 ILE C C 34 175.770 174.486 1.284 1
1 457 . 12 1 1 A 35 35 ILE CA C 34 56.320 60.012 -3.692 1
1 458 . 12 1 1 A 35 35 ILE CB C 34 36.909 40.345 -3.436 1
1 462 . 12 1 1 A 35 35 ILE N N 34 127.447 122.077 5.370 1
1 463 . 12 1 1 A 36 36 ILE H H 35 8.422 9.528 -1.106 1
1 464 . 12 1 1 A 36 36 ILE HA H 35 4.890 4.922 -0.032 1
1 474 . 12 1 1 A 36 36 ILE C C 35 175.098 175.555 -0.457 1
1 475 . 12 1 1 A 36 36 ILE CA C 35 60.806 60.102 0.704 1
1 476 . 12 1 1 A 36 36 ILE CB C 35 39.357 38.697 0.660 1
1 480 . 12 1 1 A 36 36 ILE N N 35 124.267 129.256 -4.989 1
1 481 . 12 1 1 A 37 37 GLU H H 36 8.335 8.924 -0.589 1
1 482 . 12 1 1 A 37 37 GLU HA H 36 4.820 4.770 0.050 1
1 487 . 12 1 1 A 37 37 GLU C C 36 173.502 175.295 -1.793 1
1 488 . 12 1 1 A 37 37 GLU CA C 36 54.214 54.077 0.137 1
1 489 . 12 1 1 A 37 37 GLU CB C 36 35.547 33.793 1.754 1
1 491 . 12 1 1 A 37 37 GLU N N 36 123.296 125.802 -2.506 1
1 492 . 12 1 1 A 38 38 ARG H H 37 8.891 8.158 0.733 1
1 493 . 12 1 1 A 38 38 ARG HA H 37 2.755 3.714 -0.959 1
1 501 . 12 1 1 A 38 38 ARG C C 37 176.165 175.237 0.928 1
1 502 . 12 1 1 A 38 38 ARG CA C 37 56.235 55.670 0.565 1
1 503 . 12 1 1 A 38 38 ARG CB C 37 31.328 30.369 0.959 1
1 507 . 12 1 1 A 38 38 ARG N N 37 123.143 121.590 1.553 1
1 509 . 12 1 1 A 39 39 TYR H H 38 8.681 8.354 0.327 1
1 510 . 12 1 1 A 39 39 TYR HA H 38 4.331 4.292 0.039 1
1 517 . 12 1 1 A 39 39 TYR C C 38 177.064 175.323 1.741 1
1 518 . 12 1 1 A 39 39 TYR CA C 38 57.769 59.221 -1.452 1
1 519 . 12 1 1 A 39 39 TYR CB C 38 39.552 38.912 0.640 1
1 522 . 12 1 1 A 39 39 TYR N N 38 128.699 123.247 5.452 1
1 523 . 12 1 1 A 40 40 LYS H H 39 8.454 7.929 0.525 1
1 524 . 12 1 1 A 40 40 LYS HA H 39 3.841 3.850 -0.009 1
1 533 . 12 1 1 A 40 40 LYS C C 39 176.290 176.413 -0.123 1
1 534 . 12 1 1 A 40 40 LYS CA C 39 58.772 56.572 2.200 1
1 535 . 12 1 1 A 40 40 LYS CB C 39 31.738 31.448 0.290 1
1 539 . 12 1 1 A 40 40 LYS N N 39 130.022 123.622 6.400 1
1 540 . 12 1 1 A 41 41 GLY H H 40 5.457 8.806 -3.349 1
1 541 . 12 1 1 A 41 41 GLY HA2 H 40 3.306 3.920 -0.614 1
1 542 . 12 1 1 A 41 41 GLY HA3 H 40 3.999 3.924 0.075 1
1 543 . 12 1 1 A 41 41 GLY C C 40 173.426 174.463 -1.037 1
1 544 . 12 1 1 A 41 41 GLY CA C 40 44.673 44.952 -0.279 1
1 545 . 12 1 1 A 41 41 GLY N N 40 104.628 113.280 -8.652 1
1 546 . 12 1 1 A 42 42 GLU H H 41 7.440 8.427 -0.987 1
1 547 . 12 1 1 A 42 42 GLU HA H 41 4.278 4.611 -0.333 1
1 552 . 12 1 1 A 42 42 GLU C C 41 176.306 176.459 -0.153 1
1 553 . 12 1 1 A 42 42 GLU CA C 41 56.358 56.137 0.221 1
1 554 . 12 1 1 A 42 42 GLU CB C 41 31.014 30.279 0.735 1
1 556 . 12 1 1 A 42 42 GLU N N 41 122.648 121.022 1.626 1
1 557 . 12 1 1 A 43 43 LYS H H 42 8.912 8.512 0.400 1
1 558 . 12 1 1 A 43 43 LYS HA H 42 4.680 4.609 0.071 1
1 567 . 12 1 1 A 43 43 LYS C C 42 177.063 178.147 -1.084 1
1 568 . 12 1 1 A 43 43 LYS CA C 42 55.652 56.525 -0.873 1
1 569 . 12 1 1 A 43 43 LYS CB C 42 34.871 34.271 0.600 1
1 573 . 12 1 1 A 43 43 LYS N N 42 123.569 123.115 0.454 1
1 574 . 12 1 1 A 44 44 GLN H H 43 8.446 8.260 0.186 1
1 575 . 12 1 1 A 44 44 GLN HA H 43 4.545 4.070 0.475 1
1 582 . 12 1 1 A 44 44 GLN C C 43 177.152 177.045 0.107 1
1 583 . 12 1 1 A 44 44 GLN CA C 43 57.561 58.767 -1.206 1
1 584 . 12 1 1 A 44 44 GLN CB C 43 30.671 28.722 1.949 1
1 587 . 12 1 1 A 44 44 GLN N N 43 118.990 118.595 0.395 1
1 589 . 12 1 1 A 45 45 LEU H H 44 9.043 8.080 0.963 1
1 590 . 12 1 1 A 45 45 LEU HA H 44 4.716 4.508 0.208 1
1 600 . 12 1 1 A 45 45 LEU CA C 44 53.078 53.909 -0.831 1
1 601 . 12 1 1 A 45 45 LEU CB C 44 43.614 41.550 2.064 1
1 605 . 12 1 1 A 45 45 LEU N N 44 120.375 120.234 0.141 1
1 606 . 12 1 1 A 46 46 PRO HA H 45 4.723 4.647 0.076 1
1 613 . 12 1 1 A 46 46 PRO C C 45 175.883 176.035 -0.152 1
1 614 . 12 1 1 A 46 46 PRO CA C 45 62.005 62.267 -0.262 1
1 615 . 12 1 1 A 46 46 PRO CB C 45 32.609 32.424 0.185 1
1 618 . 12 1 1 A 47 47 VAL H H 46 8.437 8.493 -0.056 1
1 619 . 12 1 1 A 47 47 VAL HA H 46 3.914 4.286 -0.372 1
1 627 . 12 1 1 A 47 47 VAL C C 46 175.367 176.272 -0.905 1
1 628 . 12 1 1 A 47 47 VAL CA C 46 62.700 61.871 0.829 1
1 629 . 12 1 1 A 47 47 VAL CB C 46 32.927 31.220 1.707 1
1 632 . 12 1 1 A 47 47 VAL N N 46 118.440 121.654 -3.214 1
1 633 . 12 1 1 A 48 48 LEU H H 47 7.863 8.354 -0.491 1
1 634 . 12 1 1 A 48 48 LEU HA H 47 4.384 4.139 0.245 1
1 644 . 12 1 1 A 48 48 LEU C C 47 176.088 177.901 -1.813 1
1 645 . 12 1 1 A 48 48 LEU CA C 47 54.851 56.017 -1.166 1
1 646 . 12 1 1 A 48 48 LEU CB C 47 43.841 44.150 -0.309 1
1 650 . 12 1 1 A 48 48 LEU N N 47 129.127 129.400 -0.273 1
1 651 . 12 1 1 A 49 49 ASP H H 48 8.699 8.909 -0.210 1
1 652 . 12 1 1 A 49 49 ASP HA H 48 4.293 4.332 -0.039 1
1 655 . 12 1 1 A 49 49 ASP C C 48 175.121 175.822 -0.701 1
1 656 . 12 1 1 A 49 49 ASP CA C 48 55.717 57.641 -1.924 1
1 657 . 12 1 1 A 49 49 ASP CB C 48 40.260 40.995 -0.735 1
1 658 . 12 1 1 A 49 49 ASP N N 48 121.389 125.325 -3.936 1
1 659 . 12 1 1 A 50 50 LYS H H 49 7.251 7.403 -0.152 1
1 660 . 12 1 1 A 50 50 LYS HA H 49 4.540 4.553 -0.013 1
1 669 . 12 1 1 A 50 50 LYS C C 49 174.664 174.979 -0.315 1
1 670 . 12 1 1 A 50 50 LYS CA C 49 53.211 55.046 -1.835 1
1 671 . 12 1 1 A 50 50 LYS CB C 49 35.514 34.351 1.163 1
1 675 . 12 1 1 A 50 50 LYS N N 49 118.260 113.017 5.243 1
1 676 . 12 1 1 A 51 51 THR H H 50 8.162 8.026 0.136 1
1 677 . 12 1 1 A 51 51 THR HA H 50 4.685 4.600 0.085 1
1 682 . 12 1 1 A 51 51 THR C C 50 171.631 174.488 -2.857 1
1 683 . 12 1 1 A 51 51 THR CA C 50 63.581 62.818 0.763 1
1 684 . 12 1 1 A 51 51 THR CB C 50 71.587 70.327 1.260 1
1 686 . 12 1 1 A 51 51 THR N N 50 112.535 113.313 -0.778 1
1 687 . 12 1 1 A 52 52 LYS H H 51 6.971 7.442 -0.471 1
1 688 . 12 1 1 A 52 52 LYS HA H 51 4.443 4.489 -0.046 1
1 697 . 12 1 1 A 52 52 LYS C C 51 175.417 175.933 -0.516 1
1 698 . 12 1 1 A 52 52 LYS CA C 51 55.209 55.932 -0.723 1
1 699 . 12 1 1 A 52 52 LYS CB C 51 33.309 33.481 -0.172 1
1 703 . 12 1 1 A 52 52 LYS N N 51 120.227 119.816 0.411 1
1 704 . 12 1 1 A 53 53 PHE H H 52 9.688 9.059 0.629 1
1 705 . 12 1 1 A 53 53 PHE HA H 52 5.675 4.992 0.683 1
1 712 . 12 1 1 A 53 53 PHE C C 52 174.348 174.611 -0.263 1
1 713 . 12 1 1 A 53 53 PHE CA C 52 56.625 56.658 -0.033 1
1 714 . 12 1 1 A 53 53 PHE CB C 52 43.109 43.084 0.025 1
1 716 . 12 1 1 A 53 53 PHE N N 52 124.646 121.169 3.477 1
1 717 . 12 1 1 A 54 54 LEU H H 53 8.470 9.068 -0.598 1
1 718 . 12 1 1 A 54 54 LEU HA H 53 5.044 4.857 0.187 1
1 728 . 12 1 1 A 54 54 LEU C C 53 176.144 175.974 0.170 1
1 729 . 12 1 1 A 54 54 LEU CA C 53 52.954 53.310 -0.356 1
1 730 . 12 1 1 A 54 54 LEU CB C 53 45.081 42.230 2.851 1
1 734 . 12 1 1 A 54 54 LEU N N 53 119.430 124.022 -4.592 1
1 735 . 12 1 1 A 55 55 VAL H H 54 8.802 8.764 0.038 1
1 736 . 12 1 1 A 55 55 VAL HA H 54 4.640 4.520 0.120 1
1 744 . 12 1 1 A 55 55 VAL CA C 54 58.549 59.697 -1.148 1
1 745 . 12 1 1 A 55 55 VAL CB C 54 35.342 31.723 3.619 1
1 748 . 12 1 1 A 55 55 VAL N N 54 123.841 126.015 -2.174 1
1 749 . 12 1 1 A 56 56 PRO HA H 55 4.439 4.769 -0.330 1
1 756 . 12 1 1 A 56 56 PRO C C 55 176.666 176.435 0.231 1
1 757 . 12 1 1 A 56 56 PRO CA C 55 64.256 62.511 1.745 1
1 758 . 12 1 1 A 56 56 PRO CB C 55 32.783 32.153 0.630 1
1 761 . 12 1 1 A 57 57 ASP H H 56 8.412 8.031 0.381 1
1 762 . 12 1 1 A 57 57 ASP HA H 56 3.848 4.594 -0.746 1
1 765 . 12 1 1 A 57 57 ASP C C 56 175.417 176.718 -1.301 1
1 766 . 12 1 1 A 57 57 ASP CA C 56 56.616 53.766 2.850 1
1 767 . 12 1 1 A 57 57 ASP CB C 56 40.410 40.389 0.021 1
1 768 . 12 1 1 A 57 57 ASP N N 56 120.415 122.356 -1.941 1
1 769 . 12 1 1 A 58 58 HIS H H 57 7.373 7.884 -0.511 1
1 770 . 12 1 1 A 58 58 HIS HA H 57 4.770 4.916 -0.146 1
1 775 . 12 1 1 A 58 58 HIS C C 57 176.594 174.166 2.428 1
1 776 . 12 1 1 A 58 58 HIS CA C 57 55.584 55.102 0.482 1
1 777 . 12 1 1 A 58 58 HIS CB C 57 30.628 31.599 -0.971 1
1 780 . 12 1 1 A 58 58 HIS N N 57 113.439 114.763 -1.324 1
1 781 . 12 1 1 A 59 59 VAL H H 58 7.249 7.481 -0.232 1
1 782 . 12 1 1 A 59 59 VAL HA H 58 3.903 4.689 -0.786 1
1 790 . 12 1 1 A 59 59 VAL C C 58 175.014 174.402 0.612 1
1 791 . 12 1 1 A 59 59 VAL CA C 58 62.726 58.881 3.845 1
1 792 . 12 1 1 A 59 59 VAL CB C 58 32.190 36.041 -3.851 1
1 795 . 12 1 1 A 59 59 VAL N N 58 122.597 115.139 7.458 1
1 796 . 12 1 1 A 60 60 ASN H H 59 8.677 8.662 0.015 1
1 797 . 12 1 1 A 60 60 ASN HA H 59 5.187 5.134 0.053 1
1 802 . 12 1 1 A 60 60 ASN C C 59 176.477 176.620 -0.143 1
1 803 . 12 1 1 A 60 60 ASN CA C 59 51.181 51.796 -0.615 1
1 804 . 12 1 1 A 60 60 ASN CB C 59 39.947 41.170 -1.223 1
1 806 . 12 1 1 A 60 60 ASN N N 59 122.962 118.837 4.125 1
1 808 . 12 1 1 A 61 61 MET H H 60 8.038 8.457 -0.419 1
1 809 . 12 1 1 A 61 61 MET HA H 60 4.426 4.205 0.221 1
1 817 . 12 1 1 A 61 61 MET C C 60 177.996 178.426 -0.430 1
1 818 . 12 1 1 A 61 61 MET CA C 60 57.118 57.913 -0.795 1
1 819 . 12 1 1 A 61 61 MET CB C 60 29.998 32.095 -2.097 1
1 822 . 12 1 1 A 61 61 MET N N 60 116.814 121.994 -5.180 1
1 823 . 12 1 1 A 62 62 SER H H 61 8.401 8.318 0.083 1
1 824 . 12 1 1 A 62 62 SER HA H 61 4.132 4.111 0.021 1
1 827 . 12 1 1 A 62 62 SER C C 61 177.255 176.868 0.387 1
1 828 . 12 1 1 A 62 62 SER CA C 61 61.559 61.443 0.116 1
1 829 . 12 1 1 A 62 62 SER CB C 61 62.430 62.766 -0.336 1
1 830 . 12 1 1 A 62 62 SER N N 61 114.109 117.352 -3.243 1
1 831 . 12 1 1 A 63 63 GLU H H 62 8.014 7.831 0.183 1
1 832 . 12 1 1 A 63 63 GLU HA H 62 4.016 3.954 0.062 1
1 837 . 12 1 1 A 63 63 GLU C C 62 178.327 178.831 -0.504 1
1 838 . 12 1 1 A 63 63 GLU CA C 62 58.787 59.452 -0.665 1
1 839 . 12 1 1 A 63 63 GLU CB C 62 29.814 29.248 0.566 1
1 841 . 12 1 1 A 63 63 GLU N N 62 122.806 121.151 1.655 1
1 842 . 12 1 1 A 64 64 LEU H H 63 8.254 8.179 0.075 1
1 843 . 12 1 1 A 64 64 LEU HA H 63 3.932 3.960 -0.028 1
1 853 . 12 1 1 A 64 64 LEU C C 63 178.029 178.507 -0.478 1
1 854 . 12 1 1 A 64 64 LEU CA C 63 57.986 58.254 -0.268 1
1 855 . 12 1 1 A 64 64 LEU CB C 63 41.377 41.884 -0.507 1
1 859 . 12 1 1 A 64 64 LEU N N 63 120.526 121.859 -1.333 1
1 860 . 12 1 1 A 65 65 ILE H H 64 8.415 8.292 0.123 1
1 861 . 12 1 1 A 65 65 ILE HA H 64 3.377 3.640 -0.263 1
1 871 . 12 1 1 A 65 65 ILE C C 64 177.078 177.845 -0.767 1
1 872 . 12 1 1 A 65 65 ILE CA C 64 66.699 65.788 0.911 1
1 873 . 12 1 1 A 65 65 ILE CB C 64 38.128 37.832 0.296 1
1 877 . 12 1 1 A 65 65 ILE N N 64 118.349 120.068 -1.719 1
1 878 . 12 1 1 A 66 66 LYS H H 65 7.366 8.054 -0.688 1
1 879 . 12 1 1 A 66 66 LYS HA H 65 3.696 4.024 -0.328 1
1 888 . 12 1 1 A 66 66 LYS C C 65 179.260 179.207 0.053 1
1 889 . 12 1 1 A 66 66 LYS CA C 65 60.593 59.120 1.473 1
1 890 . 12 1 1 A 66 66 LYS CB C 65 32.421 31.324 1.097 1
1 894 . 12 1 1 A 66 66 LYS N N 65 118.334 118.844 -0.510 1
1 895 . 12 1 1 A 67 67 ILE H H 66 8.179 7.957 0.222 1
1 896 . 12 1 1 A 67 67 ILE HA H 66 3.546 3.636 -0.090 1
1 906 . 12 1 1 A 67 67 ILE C C 66 178.784 177.616 1.168 1
1 907 . 12 1 1 A 67 67 ILE CA C 66 65.488 65.239 0.249 1
1 908 . 12 1 1 A 67 67 ILE CB C 66 38.593 37.886 0.707 1
1 912 . 12 1 1 A 67 67 ILE N N 66 119.791 119.626 0.165 1
1 913 . 12 1 1 A 68 68 ILE H H 67 8.279 8.452 -0.173 1
1 914 . 12 1 1 A 68 68 ILE HA H 67 3.391 3.323 0.068 1
1 924 . 12 1 1 A 68 68 ILE C C 67 177.403 177.587 -0.184 1
1 925 . 12 1 1 A 68 68 ILE CA C 67 63.144 65.115 -1.971 1
1 926 . 12 1 1 A 68 68 ILE CB C 67 35.269 37.599 -2.330 1
1 930 . 12 1 1 A 68 68 ILE N N 67 120.267 119.947 0.320 1
1 931 . 12 1 1 A 69 69 ARG H H 68 8.454 8.026 0.428 1
1 932 . 12 1 1 A 69 69 ARG HA H 68 2.966 3.359 -0.393 1
1 939 . 12 1 1 A 69 69 ARG C C 68 178.385 177.836 0.549 1
1 940 . 12 1 1 A 69 69 ARG CA C 68 60.642 58.417 2.225 1
1 941 . 12 1 1 A 69 69 ARG CB C 68 30.442 29.985 0.457 1
1 944 . 12 1 1 A 69 69 ARG N N 68 118.881 120.284 -1.403 1
1 945 . 12 1 1 A 70 70 ARG H H 69 7.492 7.592 -0.100 1
1 946 . 12 1 1 A 70 70 ARG HA H 69 4.164 4.070 0.094 1
1 954 . 12 1 1 A 70 70 ARG C C 69 180.253 178.779 1.474 1
1 955 . 12 1 1 A 70 70 ARG CA C 69 58.510 58.875 -0.365 1
1 956 . 12 1 1 A 70 70 ARG CB C 69 29.587 29.920 -0.333 1
1 960 . 12 1 1 A 70 70 ARG N N 69 116.411 118.914 -2.503 1
1 962 . 12 1 1 A 71 71 ARG H H 70 8.086 8.168 -0.082 1
1 963 . 12 1 1 A 71 71 ARG HA H 70 4.025 4.019 0.006 1
1 970 . 12 1 1 A 71 71 ARG C C 70 178.558 178.556 0.002 1
1 971 . 12 1 1 A 71 71 ARG CA C 70 59.428 58.974 0.454 1
1 972 . 12 1 1 A 71 71 ARG CB C 70 30.235 30.543 -0.308 1
1 975 . 12 1 1 A 71 71 ARG N N 70 122.779 119.389 3.390 1
1 976 . 12 1 1 A 72 72 LEU H H 71 7.755 7.710 0.045 1
1 977 . 12 1 1 A 72 72 LEU HA H 71 4.081 4.089 -0.008 1
1 987 . 12 1 1 A 72 72 LEU C C 71 174.852 176.477 -1.625 1
1 988 . 12 1 1 A 72 72 LEU CA C 71 55.060 55.319 -0.259 1
1 989 . 12 1 1 A 72 72 LEU CB C 71 43.109 41.660 1.449 1
1 993 . 12 1 1 A 72 72 LEU N N 71 116.551 118.354 -1.803 1
1 994 . 12 1 1 A 73 73 GLN H H 72 7.740 7.554 0.186 1
1 995 . 12 1 1 A 73 73 GLN HA H 72 3.853 3.941 -0.088 1
1 1002 . 12 1 1 A 73 73 GLN C C 72 175.619 174.871 0.748 1
1 1003 . 12 1 1 A 73 73 GLN CA C 72 56.273 56.539 -0.266 1
1 1004 . 12 1 1 A 73 73 GLN CB C 72 25.939 26.340 -0.401 1
1 1007 . 12 1 1 A 73 73 GLN N N 72 114.737 117.818 -3.081 1
1 1009 . 12 1 1 A 74 74 LEU H H 73 7.525 7.410 0.115 1
1 1010 . 12 1 1 A 74 74 LEU HA H 73 4.242 4.470 -0.228 1
1 1020 . 12 1 1 A 74 74 LEU C C 73 178.611 175.687 2.924 1
1 1021 . 12 1 1 A 74 74 LEU CA C 73 54.382 54.132 0.250 1
1 1022 . 12 1 1 A 74 74 LEU CB C 73 41.995 42.224 -0.229 1
1 1026 . 12 1 1 A 74 74 LEU N N 73 114.861 120.467 -5.606 1
1 1027 . 12 1 1 A 75 75 ASN H H 74 8.970 8.464 0.506 1
1 1028 . 12 1 1 A 75 75 ASN HA H 74 4.694 5.080 -0.386 1
1 1033 . 12 1 1 A 75 75 ASN C C 74 176.527 175.698 0.829 1
1 1034 . 12 1 1 A 75 75 ASN CA C 74 52.686 51.069 1.617 1
1 1035 . 12 1 1 A 75 75 ASN CB C 74 39.583 41.989 -2.406 1
1 1037 . 12 1 1 A 75 75 ASN N N 74 121.274 118.276 2.998 1
1 1039 . 12 1 1 A 76 76 ALA H H 75 8.697 8.666 0.031 1
1 1040 . 12 1 1 A 76 76 ALA HA H 75 3.966 4.002 -0.036 1
1 1044 . 12 1 1 A 76 76 ALA C C 75 178.002 179.753 -1.751 1
1 1045 . 12 1 1 A 76 76 ALA CA C 75 54.797 55.166 -0.369 1
1 1046 . 12 1 1 A 76 76 ALA CB C 75 18.669 18.046 0.623 1
1 1047 . 12 1 1 A 76 76 ALA N N 75 123.590 125.033 -1.443 1
1 1048 . 12 1 1 A 77 77 ASN H H 76 8.344 8.236 0.108 1
1 1049 . 12 1 1 A 77 77 ASN HA H 76 4.585 4.576 0.009 1
1 1054 . 12 1 1 A 77 77 ASN C C 76 175.371 175.872 -0.501 1
1 1055 . 12 1 1 A 77 77 ASN CA C 76 53.183 56.124 -2.941 1
1 1056 . 12 1 1 A 77 77 ASN CB C 76 38.277 38.054 0.223 1
1 1058 . 12 1 1 A 77 77 ASN N N 76 112.004 114.984 -2.980 1
1 1060 . 12 1 1 A 78 78 GLN H H 77 7.532 7.567 -0.035 1
1 1061 . 12 1 1 A 78 78 GLN HA H 77 4.281 4.619 -0.338 1
1 1068 . 12 1 1 A 78 78 GLN C C 77 175.001 174.720 0.281 1
1 1069 . 12 1 1 A 78 78 GLN CA C 77 55.875 55.614 0.261 1
1 1070 . 12 1 1 A 78 78 GLN CB C 77 30.227 29.897 0.330 1
1 1073 . 12 1 1 A 78 78 GLN N N 77 120.237 119.185 1.052 1
1 1075 . 12 1 1 A 79 79 ALA H H 78 8.732 8.942 -0.210 1
1 1076 . 12 1 1 A 79 79 ALA HA H 78 4.183 5.273 -1.090 1
1 1080 . 12 1 1 A 79 79 ALA C C 78 176.367 176.049 0.318 1
1 1081 . 12 1 1 A 79 79 ALA CA C 78 52.798 50.362 2.436 1
1 1082 . 12 1 1 A 79 79 ALA CB C 78 20.051 21.123 -1.072 1
1 1083 . 12 1 1 A 79 79 ALA N N 78 130.399 129.137 1.262 1
1 1084 . 12 1 1 A 80 80 PHE H H 79 7.603 8.595 -0.992 1
1 1085 . 12 1 1 A 80 80 PHE HA H 79 4.449 5.298 -0.849 1
1 1093 . 12 1 1 A 80 80 PHE C C 79 171.709 173.124 -1.415 1
1 1094 . 12 1 1 A 80 80 PHE CA C 79 59.101 56.511 2.590 1
1 1095 . 12 1 1 A 80 80 PHE CB C 79 42.282 42.639 -0.357 1
1 1099 . 12 1 1 A 80 80 PHE N N 79 118.988 123.792 -4.804 1
1 1100 . 12 1 1 A 81 81 PHE H H 80 8.507 9.188 -0.681 1
1 1101 . 12 1 1 A 81 81 PHE HA H 80 4.421 4.456 -0.035 1
1 1109 . 12 1 1 A 81 81 PHE C C 80 172.644 173.756 -1.112 1
1 1110 . 12 1 1 A 81 81 PHE CA C 80 56.711 55.867 0.844 1
1 1111 . 12 1 1 A 81 81 PHE CB C 80 41.880 42.882 -1.002 1
1 1115 . 12 1 1 A 81 81 PHE N N 80 126.042 124.655 1.387 1
1 1116 . 12 1 1 A 82 82 LEU H H 81 8.199 8.769 -0.570 1
1 1117 . 12 1 1 A 82 82 LEU HA H 81 4.883 5.057 -0.174 1
1 1127 . 12 1 1 A 82 82 LEU C C 81 174.440 175.084 -0.644 1
1 1128 . 12 1 1 A 82 82 LEU CA C 81 53.153 53.889 -0.736 1
1 1129 . 12 1 1 A 82 82 LEU CB C 81 45.520 43.893 1.627 1
1 1133 . 12 1 1 A 82 82 LEU N N 81 121.512 124.942 -3.430 1
1 1134 . 12 1 1 A 83 83 LEU H H 82 9.349 9.716 -0.367 1
1 1135 . 12 1 1 A 83 83 LEU HA H 82 4.810 4.975 -0.165 1
1 1145 . 12 1 1 A 83 83 LEU C C 82 177.075 176.242 0.833 1
1 1146 . 12 1 1 A 83 83 LEU CA C 82 54.122 53.754 0.368 1
1 1147 . 12 1 1 A 83 83 LEU CB C 82 43.394 42.072 1.322 1
1 1151 . 12 1 1 A 83 83 LEU N N 82 125.253 128.062 -2.809 1
1 1152 . 12 1 1 A 84 84 VAL H H 83 8.681 8.529 0.152 1
1 1153 . 12 1 1 A 84 84 VAL HA H 83 4.411 3.553 0.858 1
1 1161 . 12 1 1 A 84 84 VAL C C 83 175.797 176.088 -0.291 1
1 1162 . 12 1 1 A 84 84 VAL CA C 83 61.630 63.787 -2.157 1
1 1163 . 12 1 1 A 84 84 VAL CB C 83 33.647 31.219 2.428 1
1 1166 . 12 1 1 A 84 84 VAL N N 83 123.543 125.952 -2.409 1
1 1167 . 12 1 1 A 85 85 ASN H H 84 9.622 9.140 0.482 1
1 1168 . 12 1 1 A 85 85 ASN HA H 84 4.399 4.716 -0.317 1
1 1173 . 12 1 1 A 85 85 ASN C C 84 175.042 175.175 -0.133 1
1 1174 . 12 1 1 A 85 85 ASN CA C 84 54.610 54.229 0.381 1
1 1175 . 12 1 1 A 85 85 ASN CB C 84 37.927 36.902 1.025 1
1 1177 . 12 1 1 A 85 85 ASN N N 84 125.848 127.028 -1.180 1
1 1179 . 12 1 1 A 86 86 GLY H H 85 8.551 8.551 0.000 1
1 1180 . 12 1 1 A 86 86 GLY HA2 H 85 3.368 3.867 -0.499 1
1 1181 . 12 1 1 A 86 86 GLY HA3 H 85 4.064 3.870 0.194 1
1 1182 . 12 1 1 A 86 86 GLY C C 85 173.524 173.736 -0.212 1
1 1183 . 12 1 1 A 86 86 GLY CA C 85 45.588 45.441 0.147 1
1 1184 . 12 1 1 A 86 86 GLY N N 85 101.093 104.912 -3.819 1
1 1185 . 12 1 1 A 87 87 HIS H H 86 7.906 7.530 0.376 1
1 1186 . 12 1 1 A 87 87 HIS HA H 86 5.003 5.218 -0.215 1
1 1191 . 12 1 1 A 87 87 HIS C C 86 173.910 174.320 -0.410 1
1 1192 . 12 1 1 A 87 87 HIS CA C 86 54.213 53.720 0.493 1
1 1193 . 12 1 1 A 87 87 HIS CB C 86 31.482 32.879 -1.397 1
1 1196 . 12 1 1 A 87 87 HIS N N 86 117.253 116.031 1.222 1
1 1197 . 12 1 1 A 88 88 SER H H 87 8.846 8.981 -0.135 1
1 1198 . 12 1 1 A 88 88 SER HA H 87 4.702 4.491 0.211 1
1 1201 . 12 1 1 A 88 88 SER C C 87 175.739 175.276 0.463 1
1 1202 . 12 1 1 A 88 88 SER CA C 87 58.245 58.149 0.096 1
1 1203 . 12 1 1 A 88 88 SER CB C 87 63.764 64.948 -1.184 1
1 1204 . 12 1 1 A 88 88 SER N N 87 117.469 115.306 2.163 1
1 1205 . 12 1 1 A 89 89 MET H H 88 9.174 8.484 0.690 1
1 1206 . 12 1 1 A 89 89 MET HA H 88 4.820 4.881 -0.061 1
1 1214 . 12 1 1 A 89 89 MET C C 88 176.294 176.610 -0.316 1
1 1215 . 12 1 1 A 89 89 MET CA C 88 54.853 54.313 0.540 1
1 1216 . 12 1 1 A 89 89 MET CB C 88 33.183 33.548 -0.365 1
1 1219 . 12 1 1 A 89 89 MET N N 88 125.111 117.472 7.639 1
1 1220 . 12 1 1 A 90 90 VAL H H 89 8.217 7.457 0.760 1
1 1221 . 12 1 1 A 90 90 VAL HA H 89 4.063 3.860 0.203 1
1 1229 . 12 1 1 A 90 90 VAL C C 89 176.249 177.050 -0.801 1
1 1230 . 12 1 1 A 90 90 VAL CA C 89 63.377 64.913 -1.536 1
1 1231 . 12 1 1 A 90 90 VAL CB C 89 32.473 31.646 0.827 1
1 1234 . 12 1 1 A 90 90 VAL N N 89 120.477 123.132 -2.655 1
1 1235 . 12 1 1 A 91 91 SER H H 90 8.356 8.932 -0.576 1
1 1236 . 12 1 1 A 91 91 SER HA H 90 4.614 4.127 0.487 1
1 1239 . 12 1 1 A 91 91 SER C C 90 175.841 174.413 1.428 1
1 1240 . 12 1 1 A 91 91 SER CA C 90 57.860 59.144 -1.284 1
1 1241 . 12 1 1 A 91 91 SER CB C 90 63.398 61.834 1.564 1
1 1242 . 12 1 1 A 91 91 SER N N 90 116.676 121.686 -5.010 1
1 1243 . 12 1 1 A 92 92 VAL H H 91 8.158 7.869 0.289 1
1 1244 . 12 1 1 A 92 92 VAL HA H 91 4.245 3.986 0.259 1
1 1252 . 12 1 1 A 92 92 VAL C C 91 175.856 176.261 -0.405 1
1 1253 . 12 1 1 A 92 92 VAL CA C 91 63.121 63.441 -0.320 1
1 1254 . 12 1 1 A 92 92 VAL CB C 91 31.872 32.219 -0.347 1
1 1257 . 12 1 1 A 92 92 VAL N N 91 119.994 121.577 -1.583 1
1 1258 . 12 1 1 A 93 93 SER H H 92 8.368 9.013 -0.645 1
1 1259 . 12 1 1 A 93 93 SER HA H 92 4.581 4.698 -0.117 1
1 1262 . 12 1 1 A 93 93 SER C C 92 174.154 173.175 0.979 1
1 1263 . 12 1 1 A 93 93 SER CA C 92 57.706 57.424 0.282 1
1 1264 . 12 1 1 A 93 93 SER CB C 92 63.126 63.782 -0.656 1
1 1265 . 12 1 1 A 93 93 SER N N 92 116.504 126.667 -10.163 1
1 1266 . 12 1 1 A 94 94 THR H H 93 7.427 7.515 -0.088 1
1 1267 . 12 1 1 A 94 94 THR HA H 93 4.464 4.767 -0.303 1
1 1272 . 12 1 1 A 94 94 THR CA C 93 61.032 59.190 1.842 1
1 1273 . 12 1 1 A 94 94 THR CB C 93 70.505 72.222 -1.717 1
1 1275 . 12 1 1 A 94 94 THR N N 93 119.172 115.209 3.963 1
1 1276 . 12 1 1 A 95 95 PRO HA H 94 4.426 4.696 -0.270 1
1 1283 . 12 1 1 A 95 95 PRO C C 94 178.692 177.887 0.805 1
1 1284 . 12 1 1 A 95 95 PRO CA C 94 62.921 62.573 0.348 1
1 1285 . 12 1 1 A 95 95 PRO CB C 94 32.774 32.724 0.050 1
1 1288 . 12 1 1 A 96 96 ILE H H 95 9.324 8.949 0.375 1
1 1289 . 12 1 1 A 96 96 ILE HA H 95 3.956 4.013 -0.057 1
1 1299 . 12 1 1 A 96 96 ILE C C 95 176.415 177.258 -0.843 1
1 1300 . 12 1 1 A 96 96 ILE CA C 95 63.880 63.469 0.411 1
1 1301 . 12 1 1 A 96 96 ILE CB C 95 38.055 38.111 -0.056 1
1 1305 . 12 1 1 A 96 96 ILE N N 95 123.862 125.085 -1.223 1
1 1306 . 12 1 1 A 97 97 SER H H 96 8.211 8.004 0.207 1
1 1307 . 12 1 1 A 97 97 SER HA H 96 3.978 4.237 -0.259 1
1 1310 . 12 1 1 A 97 97 SER C C 96 176.494 176.440 0.054 1
1 1311 . 12 1 1 A 97 97 SER CA C 96 61.576 61.001 0.575 1
1 1312 . 12 1 1 A 97 97 SER CB C 96 61.262 63.207 -1.945 1
1 1313 . 12 1 1 A 97 97 SER N N 96 116.529 116.953 -0.424 1
1 1314 . 12 1 1 A 98 98 GLU H H 97 7.329 8.261 -0.932 1
1 1315 . 12 1 1 A 98 98 GLU HA H 97 4.290 4.376 -0.086 1
1 1320 . 12 1 1 A 98 98 GLU C C 97 179.288 178.860 0.428 1
1 1321 . 12 1 1 A 98 98 GLU CA C 97 58.705 58.819 -0.114 1
1 1322 . 12 1 1 A 98 98 GLU CB C 97 29.791 30.387 -0.596 1
1 1324 . 12 1 1 A 98 98 GLU N N 97 122.955 120.599 2.356 1
1 1325 . 12 1 1 A 99 99 VAL H H 98 7.386 8.573 -1.187 1
1 1326 . 12 1 1 A 99 99 VAL HA H 98 3.815 3.808 0.007 1
1 1334 . 12 1 1 A 99 99 VAL C C 98 177.662 178.435 -0.773 1
1 1335 . 12 1 1 A 99 99 VAL CA C 98 65.774 65.921 -0.147 1
1 1336 . 12 1 1 A 99 99 VAL CB C 98 32.047 31.730 0.317 1
1 1339 . 12 1 1 A 99 99 VAL N N 98 120.888 120.722 0.166 1
1 1340 . 12 1 1 A 100 100 TYR H H 99 8.984 8.207 0.777 1
1 1341 . 12 1 1 A 100 100 TYR HA H 99 4.013 4.168 -0.155 1
1 1348 . 12 1 1 A 100 100 TYR C C 99 176.355 178.175 -1.820 1
1 1349 . 12 1 1 A 100 100 TYR CA C 99 62.118 61.583 0.535 1
1 1350 . 12 1 1 A 100 100 TYR CB C 99 38.921 39.027 -0.106 1
1 1353 . 12 1 1 A 100 100 TYR N N 99 118.874 121.140 -2.266 1
1 1354 . 12 1 1 A 101 101 GLU H H 100 7.433 8.917 -1.484 1
1 1355 . 12 1 1 A 101 101 GLU HA H 100 3.833 3.920 -0.087 1
1 1360 . 12 1 1 A 101 101 GLU C C 100 177.674 176.803 0.871 1
1 1361 . 12 1 1 A 101 101 GLU CA C 100 58.895 58.085 0.810 1
1 1362 . 12 1 1 A 101 101 GLU CB C 100 29.577 28.415 1.162 1
1 1364 . 12 1 1 A 101 101 GLU N N 100 114.383 118.541 -4.158 1
1 1365 . 12 1 1 A 102 102 SER H H 101 7.423 8.376 -0.953 1
1 1366 . 12 1 1 A 102 102 SER HA H 101 4.552 4.567 -0.015 1
1 1369 . 12 1 1 A 102 102 SER C C 101 176.554 174.712 1.842 1
1 1370 . 12 1 1 A 102 102 SER CA C 101 60.200 58.787 1.413 1
1 1371 . 12 1 1 A 102 102 SER CB C 101 64.828 63.967 0.861 1
1 1372 . 12 1 1 A 102 102 SER N N 101 108.722 115.082 -6.360 1
1 1373 . 12 1 1 A 103 103 GLU H H 102 8.488 8.203 0.285 1
1 1374 . 12 1 1 A 103 103 GLU HA H 102 4.752 4.520 0.232 1
1 1379 . 12 1 1 A 103 103 GLU C C 102 176.653 176.163 0.490 1
1 1380 . 12 1 1 A 103 103 GLU CA C 102 55.464 57.491 -2.027 1
1 1381 . 12 1 1 A 103 103 GLU CB C 102 30.611 31.865 -1.254 1
1 1383 . 12 1 1 A 103 103 GLU N N 102 116.116 118.366 -2.250 1
1 1384 . 12 1 1 A 104 104 ARG H H 103 7.511 7.757 -0.246 1
1 1385 . 12 1 1 A 104 104 ARG HA H 103 4.241 4.283 -0.042 1
1 1392 . 12 1 1 A 104 104 ARG C C 103 174.634 175.149 -0.515 1
1 1393 . 12 1 1 A 104 104 ARG CA C 103 56.926 56.292 0.634 1
1 1394 . 12 1 1 A 104 104 ARG CB C 103 29.713 30.172 -0.459 1
1 1397 . 12 1 1 A 104 104 ARG N N 103 117.180 118.594 -1.414 1
1 1398 . 12 1 1 A 105 105 ASP H H 104 9.069 8.533 0.536 1
1 1399 . 12 1 1 A 105 105 ASP HA H 104 4.774 5.012 -0.238 1
1 1402 . 12 1 1 A 105 105 ASP C C 104 177.460 176.803 0.657 1
1 1403 . 12 1 1 A 105 105 ASP CA C 104 53.852 52.442 1.410 1
1 1404 . 12 1 1 A 105 105 ASP CB C 104 43.424 43.724 -0.300 1
1 1405 . 12 1 1 A 105 105 ASP N N 104 123.349 123.920 -0.571 1
1 1406 . 12 1 1 A 106 106 GLU H H 105 8.982 8.855 0.127 1
1 1407 . 12 1 1 A 106 106 GLU HA H 105 4.199 4.017 0.182 1
1 1412 . 12 1 1 A 106 106 GLU C C 105 177.398 177.935 -0.537 1
1 1413 . 12 1 1 A 106 106 GLU CA C 105 59.413 59.473 -0.060 1
1 1414 . 12 1 1 A 106 106 GLU CB C 105 29.983 29.285 0.698 1
1 1416 . 12 1 1 A 106 106 GLU N N 105 125.197 123.325 1.872 1
1 1417 . 12 1 1 A 107 107 ASP H H 106 9.873 8.062 1.811 1
1 1418 . 12 1 1 A 107 107 ASP HA H 106 4.211 4.091 0.120 1
1 1421 . 12 1 1 A 107 107 ASP C C 106 175.775 176.652 -0.877 1
1 1422 . 12 1 1 A 107 107 ASP CA C 106 54.698 55.125 -0.427 1
1 1423 . 12 1 1 A 107 107 ASP CB C 106 40.187 41.575 -1.388 1
1 1424 . 12 1 1 A 107 107 ASP N N 106 118.717 116.806 1.911 1
1 1425 . 12 1 1 A 108 108 GLY H H 107 7.971 8.506 -0.535 1
1 1426 . 12 1 1 A 108 108 GLY HA2 H 107 3.431 3.910 -0.479 1
1 1427 . 12 1 1 A 108 108 GLY HA3 H 107 4.526 3.928 0.598 1
1 1428 . 12 1 1 A 108 108 GLY C C 107 175.138 174.213 0.925 1
1 1429 . 12 1 1 A 108 108 GLY CA C 107 45.029 45.480 -0.451 1
1 1430 . 12 1 1 A 108 108 GLY N N 107 105.017 108.642 -3.625 1
1 1431 . 12 1 1 A 109 109 PHE H H 108 9.799 7.534 2.265 1
1 1432 . 12 1 1 A 109 109 PHE HA H 108 4.607 4.712 -0.105 1
1 1440 . 12 1 1 A 109 109 PHE C C 108 175.171 174.839 0.332 1
1 1441 . 12 1 1 A 109 109 PHE CA C 108 60.222 56.585 3.637 1
1 1442 . 12 1 1 A 109 109 PHE CB C 108 40.433 41.319 -0.886 1
1 1446 . 12 1 1 A 109 109 PHE N N 108 123.309 119.732 3.577 1
1 1447 . 12 1 1 A 110 110 LEU H H 109 8.061 8.693 -0.632 1
1 1448 . 12 1 1 A 110 110 LEU HA H 109 5.022 4.526 0.496 1
1 1458 . 12 1 1 A 110 110 LEU C C 109 174.033 175.920 -1.887 1
1 1459 . 12 1 1 A 110 110 LEU CA C 109 53.539 54.797 -1.258 1
1 1460 . 12 1 1 A 110 110 LEU CB C 109 45.284 42.589 2.695 1
1 1464 . 12 1 1 A 110 110 LEU N N 109 119.999 125.633 -5.634 1
1 1465 . 12 1 1 A 111 111 TYR H H 110 9.363 9.354 0.009 1
1 1466 . 12 1 1 A 111 111 TYR HA H 110 4.906 5.054 -0.148 1
1 1473 . 12 1 1 A 111 111 TYR C C 110 176.538 174.481 2.057 1
1 1474 . 12 1 1 A 111 111 TYR CA C 110 59.335 56.623 2.712 1
1 1475 . 12 1 1 A 111 111 TYR CB C 110 39.485 39.957 -0.472 1
1 1478 . 12 1 1 A 111 111 TYR N N 110 126.322 123.590 2.732 1
1 1479 . 12 1 1 A 112 112 MET H H 111 9.496 9.555 -0.059 1
1 1480 . 12 1 1 A 112 112 MET HA H 111 5.522 5.361 0.161 1
1 1488 . 12 1 1 A 112 112 MET C C 111 175.676 174.697 0.979 1
1 1489 . 12 1 1 A 112 112 MET CA C 111 54.216 54.154 0.062 1
1 1490 . 12 1 1 A 112 112 MET CB C 111 36.821 35.798 1.023 1
1 1493 . 12 1 1 A 112 112 MET N N 111 119.003 123.868 -4.865 1
1 1494 . 12 1 1 A 113 113 VAL H H 112 8.749 9.138 -0.389 1
1 1495 . 12 1 1 A 113 113 VAL HA H 112 5.967 4.936 1.031 1
1 1503 . 12 1 1 A 113 113 VAL C C 112 174.893 175.346 -0.453 1
1 1504 . 12 1 1 A 113 113 VAL CA C 112 58.896 61.511 -2.615 1
1 1505 . 12 1 1 A 113 113 VAL CB C 112 36.149 34.000 2.149 1
1 1508 . 12 1 1 A 113 113 VAL N N 112 119.658 122.084 -2.426 1
1 1509 . 12 1 1 A 114 114 TYR H H 113 8.210 8.957 -0.747 1
1 1510 . 12 1 1 A 114 114 TYR HA H 113 6.141 6.192 -0.051 1
1 1517 . 12 1 1 A 114 114 TYR C C 113 173.353 174.143 -0.790 1
1 1518 . 12 1 1 A 114 114 TYR CA C 113 54.161 55.120 -0.959 1
1 1519 . 12 1 1 A 114 114 TYR CB C 113 43.538 42.410 1.128 1
1 1522 . 12 1 1 A 114 114 TYR N N 113 118.947 125.300 -6.353 1
1 1523 . 12 1 1 A 115 115 ALA H H 114 8.483 9.051 -0.568 1
1 1524 . 12 1 1 A 115 115 ALA HA H 114 4.762 4.932 -0.170 1
1 1528 . 12 1 1 A 115 115 ALA C C 114 176.033 177.036 -1.003 1
1 1529 . 12 1 1 A 115 115 ALA CA C 114 51.223 51.424 -0.201 1
1 1530 . 12 1 1 A 115 115 ALA CB C 114 24.521 22.444 2.077 1
1 1531 . 12 1 1 A 115 115 ALA N N 114 119.557 121.815 -2.258 1
1 1532 . 12 1 1 A 116 116 SER H H 115 9.835 8.851 0.984 1
1 1533 . 12 1 1 A 116 116 SER HA H 115 4.497 5.140 -0.643 1
1 1536 . 12 1 1 A 116 116 SER C C 115 172.664 173.410 -0.746 1
1 1537 . 12 1 1 A 116 116 SER CA C 115 58.669 58.572 0.097 1
1 1538 . 12 1 1 A 116 116 SER CB C 115 63.570 63.857 -0.287 1
1 1539 . 12 1 1 A 116 116 SER N N 115 114.435 114.001 0.434 1
1 1540 . 12 1 1 A 117 117 GLN H H 116 7.180 7.617 -0.437 1
1 1541 . 12 1 1 A 117 117 GLN HA H 116 4.460 4.906 -0.446 1
1 1548 . 12 1 1 A 117 117 GLN C C 116 172.901 175.501 -2.600 1
1 1549 . 12 1 1 A 117 117 GLN CA C 116 53.974 54.980 -1.006 1
1 1550 . 12 1 1 A 117 117 GLN CB C 116 32.192 32.030 0.162 1
1 1553 . 12 1 1 A 117 117 GLN N N 116 116.449 120.031 -3.582 1
1 1555 . 12 1 1 A 118 118 GLU H H 117 7.878 8.698 -0.820 1
1 1556 . 12 1 1 A 118 118 GLU HA H 117 3.259 4.485 -1.226 1
1 1561 . 12 1 1 A 118 118 GLU C C 117 175.233 176.949 -1.716 1
1 1562 . 12 1 1 A 118 118 GLU CA C 117 56.890 56.578 0.312 1
1 1563 . 12 1 1 A 118 118 GLU CB C 117 30.325 30.248 0.077 1
1 1565 . 12 1 1 A 118 118 GLU N N 117 117.687 124.875 -7.188 1
1 1566 . 12 1 1 A 119 119 THR H H 118 6.968 7.608 -0.640 1
1 1567 . 12 1 1 A 119 119 THR HA H 118 4.082 4.272 -0.190 1
1 1572 . 12 1 1 A 119 119 THR C C 118 173.134 175.129 -1.995 1
1 1573 . 12 1 1 A 119 119 THR CA C 118 60.123 60.809 -0.686 1
1 1574 . 12 1 1 A 119 119 THR CB C 118 70.147 68.872 1.275 1
1 1576 . 12 1 1 A 119 119 THR N N 118 109.548 107.375 2.173 1
1 1577 . 12 1 1 A 120 120 PHE H H 119 8.138 8.130 0.008 1
1 1578 . 12 1 1 A 120 120 PHE HA H 119 4.436 4.190 0.246 1
1 1586 . 12 1 1 A 120 120 PHE C C 119 174.902 177.687 -2.785 1
1 1587 . 12 1 1 A 120 120 PHE CA C 119 56.750 60.658 -3.908 1
1 1588 . 12 1 1 A 120 120 PHE CB C 119 39.411 37.445 1.966 1
1 1592 . 12 1 1 A 120 120 PHE N N 119 121.777 122.184 -0.407 1
1 1607 . 12 2 2 B 2 2 SER H H 332 8.471 7.996 0.475 1
1 1608 . 12 2 2 B 2 2 SER HA H 332 4.484 4.362 0.122 1
1 1611 . 12 2 2 B 2 2 SER C C 332 174.962 174.217 0.745 1
1 1612 . 12 2 2 B 2 2 SER CA C 332 88.436 58.233 30.203 1
1 1613 . 12 2 2 B 2 2 SER CB C 332 93.927 64.296 29.631 1
1 1614 . 12 2 2 B 2 2 SER N N 332 147.261 114.100 33.161 1
1 1615 . 12 2 2 B 3 3 GLY H H 333 8.601 8.423 0.178 1
1 1616 . 12 2 2 B 3 3 GLY HA2 H 333 4.022 4.245 -0.223 1
1 1617 . 12 2 2 B 3 3 GLY HA3 H 333 4.022 4.248 -0.226 1
1 1618 . 12 2 2 B 3 3 GLY C C 333 174.774 172.978 1.796 1
1 1619 . 12 2 2 B 3 3 GLY CA C 333 75.465 45.094 30.371 1
1 1620 . 12 2 2 B 3 3 GLY N N 333 141.077 108.288 32.789 1
1 1621 . 12 2 2 B 4 4 GLY H H 334 8.372 8.432 -0.060 1
1 1622 . 12 2 2 B 4 4 GLY HA2 H 334 3.980 4.224 -0.244 1
1 1623 . 12 2 2 B 4 4 GLY HA3 H 334 3.980 4.232 -0.252 1
1 1624 . 12 2 2 B 4 4 GLY C C 334 174.758 174.506 0.252 1
1 1625 . 12 2 2 B 4 4 GLY CA C 334 75.674 44.852 30.822 1
1 1626 . 12 2 2 B 4 4 GLY N N 334 138.894 111.793 27.101 1
1 1627 . 12 2 2 B 5 5 ASP H H 335 8.429 8.995 -0.566 1
1 1628 . 12 2 2 B 5 5 ASP HA H 335 4.610 4.508 0.102 1
1 1631 . 12 2 2 B 5 5 ASP CA C 335 85.066 56.814 28.252 1
1 1632 . 12 2 2 B 5 5 ASP CB C 335 71.191 41.127 30.064 1
1 1633 . 12 2 2 B 5 5 ASP N N 335 149.637 121.224 28.413 1
1 1634 . 12 2 2 B 6 6 ASP H H 336 8.244 7.889 0.355 1
1 1635 . 12 2 2 B 6 6 ASP HA H 336 4.559 4.871 -0.312 1
1 1638 . 12 2 2 B 6 6 ASP C C 336 175.432 174.410 1.022 1
1 1639 . 12 2 2 B 6 6 ASP CA C 336 84.708 54.209 30.499 1
1 1640 . 12 2 2 B 6 6 ASP CB C 336 71.552 43.498 28.054 1
1 1641 . 12 2 2 B 6 6 ASP N N 336 148.885 115.327 33.558 1
1 1642 . 12 2 2 B 7 7 ASP H H 337 7.803 8.766 -0.963 1
1 1643 . 12 2 2 B 7 7 ASP HA H 337 4.655 4.508 0.147 1
1 1646 . 12 2 2 B 7 7 ASP C C 337 175.362 176.269 -0.907 1
1 1647 . 12 2 2 B 7 7 ASP CA C 337 83.670 54.925 28.745 1
1 1648 . 12 2 2 B 7 7 ASP CB C 337 71.933 40.915 31.018 1
1 1649 . 12 2 2 B 7 7 ASP N N 337 149.563 125.418 24.145 1
1 1650 . 12 2 2 B 8 8 TRP H H 338 8.472 8.368 0.104 1
1 1651 . 12 2 2 B 8 8 TRP HA H 338 4.174 4.713 -0.539 1
1 1660 . 12 2 2 B 8 8 TRP C C 338 175.959 176.279 -0.320 1
1 1661 . 12 2 2 B 8 8 TRP CA C 338 87.020 57.702 29.318 1
1 1662 . 12 2 2 B 8 8 TRP CB C 338 61.223 30.358 30.865 1
1 1668 . 12 2 2 B 8 8 TRP N N 338 150.172 124.112 26.060 1
1 1670 . 12 2 2 B 9 9 THR H H 339 7.994 8.361 -0.367 1
1 1671 . 12 2 2 B 9 9 THR HA H 339 4.533 4.483 0.050 1
1 1676 . 12 2 2 B 9 9 THR C C 339 174.035 173.815 0.220 1
1 1677 . 12 2 2 B 9 9 THR CA C 339 92.659 60.293 32.366 1
1 1678 . 12 2 2 B 9 9 THR CB C 339 99.436 69.970 29.466 1
1 1680 . 12 2 2 B 9 9 THR N N 339 149.503 115.881 33.622 1
1 1681 . 12 2 2 B 10 10 HIS H H 340 9.463 7.802 1.661 1
1 1682 . 12 2 2 B 10 10 HIS HA H 340 4.677 5.342 -0.665 1
1 1687 . 12 2 2 B 10 10 HIS C C 340 175.606 174.541 1.065 1
1 1688 . 12 2 2 B 10 10 HIS CA C 340 87.024 54.017 33.007 1
1 1689 . 12 2 2 B 10 10 HIS CB C 340 61.368 31.396 29.972 1
1 1692 . 12 2 2 B 10 10 HIS N N 340 159.135 123.167 35.968 1
1 1693 . 12 2 2 B 11 11 LEU H H 341 8.398 9.166 -0.768 1
1 1694 . 12 2 2 B 11 11 LEU HA H 341 4.848 4.931 -0.083 1
1 1704 . 12 2 2 B 11 11 LEU C C 341 175.919 175.802 0.117 1
1 1705 . 12 2 2 B 11 11 LEU CA C 341 83.684 53.977 29.707 1
1 1706 . 12 2 2 B 11 11 LEU CB C 341 73.601 42.463 31.138 1
1 1710 . 12 2 2 B 11 11 LEU N N 341 153.300 126.196 27.104 1
1 1711 . 12 2 2 B 12 12 SER H H 342 8.382 9.131 -0.749 1
1 1712 . 12 2 2 B 12 12 SER HA H 342 4.652 5.038 -0.386 1
1 1715 . 12 2 2 B 12 12 SER C C 342 174.263 174.892 -0.629 1
1 1716 . 12 2 2 B 12 12 SER CA C 342 86.841 57.848 28.993 1
1 1717 . 12 2 2 B 12 12 SER CB C 342 95.113 64.495 30.618 1
1 1718 . 12 2 2 B 12 12 SER N N 342 144.018 123.544 20.474 1
1 1719 . 12 2 2 B 13 13 SER H H 343 8.937 9.042 -0.105 1
1 1720 . 12 2 2 B 13 13 SER HA H 343 4.291 4.436 -0.145 1
1 1723 . 12 2 2 B 13 13 SER C C 343 174.652 175.103 -0.451 1
1 1724 . 12 2 2 B 13 13 SER CA C 343 89.546 60.520 29.026 1
1 1725 . 12 2 2 B 13 13 SER CB C 343 93.470 63.098 30.372 1
1 1726 . 12 2 2 B 13 13 SER N N 343 148.575 120.090 28.485 1
1 1727 . 12 2 2 B 14 14 LYS H H 344 8.250 8.418 -0.168 1
1 1728 . 12 2 2 B 14 14 LYS HA H 344 4.319 4.184 0.135 1
1 1737 . 12 2 2 B 14 14 LYS C C 344 176.699 177.760 -1.061 1
1 1738 . 12 2 2 B 14 14 LYS CA C 344 86.716 58.710 28.006 1
1 1739 . 12 2 2 B 14 14 LYS CB C 344 62.831 32.861 29.970 1
1 1743 . 12 2 2 B 14 14 LYS N N 344 151.908 121.693 30.215 1
1 1744 . 12 2 2 B 15 15 GLU H H 345 8.256 7.920 0.336 1
1 1745 . 12 2 2 B 15 15 GLU HA H 345 4.240 4.316 -0.076 1
1 1750 . 12 2 2 B 15 15 GLU C C 345 176.152 176.313 -0.161 1
1 1751 . 12 2 2 B 15 15 GLU CA C 345 87.152 57.592 29.560 1
1 1752 . 12 2 2 B 15 15 GLU CB C 345 60.176 30.044 30.132 1
1 1754 . 12 2 2 B 15 15 GLU N N 345 150.679 118.182 32.497 1
1 1755 . 12 2 2 B 16 16 VAL H H 346 7.762 7.390 0.372 1
1 1756 . 12 2 2 B 16 16 VAL HA H 346 4.161 4.177 -0.016 1
1 1764 . 12 2 2 B 16 16 VAL C C 346 174.646 175.463 -0.817 1
1 1765 . 12 2 2 B 16 16 VAL CA C 346 91.707 60.763 30.944 1
1 1766 . 12 2 2 B 16 16 VAL CB C 346 63.107 33.863 29.244 1
1 1769 . 12 2 2 B 16 16 VAL N N 346 146.718 116.805 29.913 1
1 9 . 13 1 1 A 2 2 MET H H 1 8.414 7.608 0.806 1
1 10 . 13 1 1 A 2 2 MET HA H 1 4.826 4.522 0.304 1
1 18 . 13 1 1 A 2 2 MET CA C 1 53.382 55.080 -1.698 1
1 19 . 13 1 1 A 2 2 MET CB C 1 32.478 32.198 0.280 1
1 22 . 13 1 1 A 2 2 MET N N 1 122.882 121.176 1.706 1
1 23 . 13 1 1 A 3 3 PRO HA H 2 4.425 4.531 -0.106 1
1 30 . 13 1 1 A 3 3 PRO C C 2 176.847 176.271 0.576 1
1 31 . 13 1 1 A 3 3 PRO CA C 2 63.386 63.602 -0.216 1
1 32 . 13 1 1 A 3 3 PRO CB C 2 32.077 32.077 0.000 1
1 35 . 13 1 1 A 4 4 SER H H 3 8.347 7.835 0.512 1
1 36 . 13 1 1 A 4 4 SER HA H 3 4.391 4.687 -0.296 1
1 39 . 13 1 1 A 4 4 SER C C 3 174.643 174.209 0.434 1
1 40 . 13 1 1 A 4 4 SER CA C 3 58.336 57.402 0.934 1
1 41 . 13 1 1 A 4 4 SER CB C 3 63.798 65.495 -1.697 1
1 42 . 13 1 1 A 4 4 SER N N 3 115.234 115.701 -0.467 1
1 43 . 13 1 1 A 5 5 GLU H H 4 8.472 8.365 0.107 1
1 44 . 13 1 1 A 5 5 GLU HA H 4 4.297 4.347 -0.050 1
1 49 . 13 1 1 A 5 5 GLU C C 4 176.352 176.302 0.050 1
1 50 . 13 1 1 A 5 5 GLU CA C 4 56.572 55.955 0.617 1
1 51 . 13 1 1 A 5 5 GLU CB C 4 30.285 30.806 -0.521 1
1 53 . 13 1 1 A 5 5 GLU N N 4 123.045 122.405 0.640 1
1 54 . 13 1 1 A 6 6 LYS H H 5 8.214 8.349 -0.135 1
1 55 . 13 1 1 A 6 6 LYS HA H 5 4.500 4.380 0.120 1
1 64 . 13 1 1 A 6 6 LYS C C 5 177.243 176.097 1.146 1
1 65 . 13 1 1 A 6 6 LYS CA C 5 55.943 56.514 -0.571 1
1 66 . 13 1 1 A 6 6 LYS CB C 5 34.621 33.552 1.069 1
1 70 . 13 1 1 A 6 6 LYS N N 5 121.467 121.774 -0.307 1
1 71 . 13 1 1 A 7 7 THR H H 6 8.431 8.315 0.116 1
1 72 . 13 1 1 A 7 7 THR HA H 6 4.383 5.065 -0.682 1
1 77 . 13 1 1 A 7 7 THR C C 6 175.360 175.924 -0.564 1
1 78 . 13 1 1 A 7 7 THR CA C 6 61.124 59.068 2.056 1
1 79 . 13 1 1 A 7 7 THR CB C 6 69.863 71.698 -1.835 1
1 81 . 13 1 1 A 7 7 THR N N 6 114.691 111.393 3.298 1
1 82 . 13 1 1 A 8 8 PHE H H 7 10.194 9.600 0.594 1
1 83 . 13 1 1 A 8 8 PHE HA H 7 3.904 4.239 -0.335 1
1 88 . 13 1 1 A 8 8 PHE C C 7 177.000 177.711 -0.711 1
1 89 . 13 1 1 A 8 8 PHE CA C 7 63.388 60.607 2.781 1
1 90 . 13 1 1 A 8 8 PHE CB C 7 39.586 38.773 0.813 1
1 92 . 13 1 1 A 8 8 PHE N N 7 124.861 123.197 1.664 1
1 93 . 13 1 1 A 9 9 LYS H H 8 8.707 8.357 0.350 1
1 94 . 13 1 1 A 9 9 LYS HA H 8 3.761 4.038 -0.277 1
1 103 . 13 1 1 A 9 9 LYS C C 8 177.496 178.902 -1.406 1
1 104 . 13 1 1 A 9 9 LYS CA C 8 59.945 59.246 0.699 1
1 105 . 13 1 1 A 9 9 LYS CB C 8 33.870 32.022 1.848 1
1 109 . 13 1 1 A 9 9 LYS N N 8 114.189 117.580 -3.391 1
1 110 . 13 1 1 A 10 10 GLN H H 9 7.284 8.101 -0.817 1
1 111 . 13 1 1 A 10 10 GLN HA H 9 4.113 4.144 -0.031 1
1 118 . 13 1 1 A 10 10 GLN C C 9 177.416 178.223 -0.807 1
1 119 . 13 1 1 A 10 10 GLN CA C 9 56.743 58.193 -1.450 1
1 120 . 13 1 1 A 10 10 GLN CB C 9 30.002 29.034 0.968 1
1 123 . 13 1 1 A 10 10 GLN N N 9 112.843 119.026 -6.183 1
1 125 . 13 1 1 A 11 11 ARG H H 10 7.889 8.407 -0.518 1
1 126 . 13 1 1 A 11 11 ARG HA H 10 4.255 3.987 0.268 1
1 133 . 13 1 1 A 11 11 ARG C C 10 175.059 176.623 -1.564 1
1 134 . 13 1 1 A 11 11 ARG CA C 10 57.018 59.463 -2.445 1
1 135 . 13 1 1 A 11 11 ARG CB C 10 31.628 30.378 1.250 1
1 138 . 13 1 1 A 11 11 ARG N N 10 117.567 120.472 -2.905 1
1 139 . 13 1 1 A 12 12 ARG H H 11 7.443 7.820 -0.377 1
1 140 . 13 1 1 A 12 12 ARG HA H 11 4.493 4.371 0.122 1
1 147 . 13 1 1 A 12 12 ARG CA C 11 54.172 56.083 -1.911 1
1 148 . 13 1 1 A 12 12 ARG CB C 11 32.857 30.783 2.074 1
1 151 . 13 1 1 A 12 12 ARG N N 11 122.786 120.101 2.685 1
1 152 . 13 1 1 A 13 13 SER HA H 12 4.403 4.445 -0.042 1
1 155 . 13 1 1 A 13 13 SER C C 12 174.222 175.611 -1.389 1
1 156 . 13 1 1 A 13 13 SER CA C 12 58.274 59.839 -1.565 1
1 157 . 13 1 1 A 13 13 SER CB C 12 64.821 63.468 1.353 1
1 158 . 13 1 1 A 14 14 PHE H H 13 9.239 9.285 -0.046 1
1 159 . 13 1 1 A 14 14 PHE HA H 13 4.035 4.166 -0.131 1
1 165 . 13 1 1 A 14 14 PHE C C 13 176.023 176.913 -0.890 1
1 166 . 13 1 1 A 14 14 PHE CA C 13 62.790 62.798 -0.008 1
1 167 . 13 1 1 A 14 14 PHE CB C 13 39.580 39.975 -0.395 1
1 169 . 13 1 1 A 14 14 PHE N N 13 123.729 126.899 -3.170 1
1 170 . 13 1 1 A 15 15 GLU H H 14 9.093 8.550 0.543 1
1 171 . 13 1 1 A 15 15 GLU HA H 14 3.813 3.853 -0.040 1
1 176 . 13 1 1 A 15 15 GLU C C 14 179.549 179.429 0.120 1
1 177 . 13 1 1 A 15 15 GLU CA C 14 60.444 59.998 0.446 1
1 178 . 13 1 1 A 15 15 GLU CB C 14 28.804 29.319 -0.515 1
1 180 . 13 1 1 A 15 15 GLU N N 14 115.336 117.413 -2.077 1
1 181 . 13 1 1 A 16 16 GLN H H 15 7.752 8.305 -0.553 1
1 182 . 13 1 1 A 16 16 GLN HA H 15 4.044 4.146 -0.102 1
1 189 . 13 1 1 A 16 16 GLN C C 15 177.931 178.939 -1.008 1
1 190 . 13 1 1 A 16 16 GLN CA C 15 58.486 59.097 -0.611 1
1 191 . 13 1 1 A 16 16 GLN CB C 15 29.393 28.497 0.896 1
1 194 . 13 1 1 A 16 16 GLN N N 15 119.145 118.838 0.307 1
1 196 . 13 1 1 A 17 17 ARG H H 16 8.577 7.832 0.745 1
1 197 . 13 1 1 A 17 17 ARG HA H 16 4.280 4.316 -0.036 1
1 202 . 13 1 1 A 17 17 ARG C C 16 177.128 178.986 -1.858 1
1 203 . 13 1 1 A 17 17 ARG CA C 16 61.442 58.710 2.732 1
1 204 . 13 1 1 A 17 17 ARG N N 16 121.288 119.092 2.196 1
1 205 . 13 1 1 A 18 18 VAL H H 17 8.329 8.068 0.261 1
1 206 . 13 1 1 A 18 18 VAL HA H 17 3.938 3.457 0.481 1
1 214 . 13 1 1 A 18 18 VAL C C 17 179.744 177.664 2.080 1
1 215 . 13 1 1 A 18 18 VAL CA C 17 65.441 66.329 -0.888 1
1 216 . 13 1 1 A 18 18 VAL CB C 17 32.080 31.552 0.528 1
1 219 . 13 1 1 A 18 18 VAL N N 17 116.752 120.178 -3.426 1
1 220 . 13 1 1 A 19 19 GLU H H 18 7.445 8.341 -0.896 1
1 221 . 13 1 1 A 19 19 GLU HA H 18 4.270 3.875 0.395 1
1 226 . 13 1 1 A 19 19 GLU C C 18 177.625 178.260 -0.635 1
1 227 . 13 1 1 A 19 19 GLU CA C 18 58.637 59.916 -1.279 1
1 228 . 13 1 1 A 19 19 GLU CB C 18 29.398 29.058 0.340 1
1 230 . 13 1 1 A 19 19 GLU N N 18 120.323 120.304 0.019 1
1 231 . 13 1 1 A 20 20 ASP H H 19 8.690 8.041 0.649 1
1 232 . 13 1 1 A 20 20 ASP HA H 19 4.514 4.381 0.133 1
1 235 . 13 1 1 A 20 20 ASP C C 19 179.877 178.909 0.968 1
1 236 . 13 1 1 A 20 20 ASP CA C 19 57.224 57.616 -0.392 1
1 237 . 13 1 1 A 20 20 ASP CB C 19 41.487 42.003 -0.516 1
1 238 . 13 1 1 A 20 20 ASP N N 19 120.313 120.191 0.122 1
1 239 . 13 1 1 A 21 21 VAL H H 20 7.731 7.560 0.171 1
1 240 . 13 1 1 A 21 21 VAL HA H 20 3.394 3.282 0.112 1
1 248 . 13 1 1 A 21 21 VAL C C 20 176.989 178.143 -1.154 1
1 249 . 13 1 1 A 21 21 VAL CA C 20 65.989 66.561 -0.572 1
1 250 . 13 1 1 A 21 21 VAL CB C 20 31.291 31.208 0.083 1
1 253 . 13 1 1 A 21 21 VAL N N 20 119.119 119.574 -0.455 1
1 254 . 13 1 1 A 22 22 ARG H H 21 8.313 8.296 0.017 1
1 255 . 13 1 1 A 22 22 ARG HA H 21 3.825 3.986 -0.161 1
1 263 . 13 1 1 A 22 22 ARG C C 21 180.178 177.789 2.389 1
1 264 . 13 1 1 A 22 22 ARG CA C 21 59.821 58.899 0.922 1
1 265 . 13 1 1 A 22 22 ARG CB C 21 30.164 29.943 0.221 1
1 269 . 13 1 1 A 22 22 ARG N N 21 120.772 120.804 -0.032 1
1 271 . 13 1 1 A 23 23 LEU H H 22 8.306 7.437 0.869 1
1 272 . 13 1 1 A 23 23 LEU HA H 22 4.076 4.231 -0.155 1
1 282 . 13 1 1 A 23 23 LEU C C 22 180.221 179.078 1.143 1
1 283 . 13 1 1 A 23 23 LEU CA C 22 57.541 57.073 0.468 1
1 284 . 13 1 1 A 23 23 LEU CB C 22 42.300 41.660 0.640 1
1 288 . 13 1 1 A 23 23 LEU N N 22 116.413 119.006 -2.593 1
1 289 . 13 1 1 A 24 24 ILE H H 23 7.864 7.954 -0.090 1
1 290 . 13 1 1 A 24 24 ILE HA H 23 4.090 3.930 0.160 1
1 300 . 13 1 1 A 24 24 ILE C C 23 177.922 178.180 -0.258 1
1 301 . 13 1 1 A 24 24 ILE CA C 23 60.190 64.743 -4.553 1
1 302 . 13 1 1 A 24 24 ILE CB C 23 38.072 37.524 0.548 1
1 306 . 13 1 1 A 24 24 ILE N N 23 121.259 118.280 2.979 1
1 307 . 13 1 1 A 25 25 ARG H H 24 8.339 8.524 -0.185 1
1 308 . 13 1 1 A 25 25 ARG HA H 24 3.973 4.027 -0.054 1
1 316 . 13 1 1 A 25 25 ARG C C 24 178.479 178.106 0.373 1
1 317 . 13 1 1 A 25 25 ARG CA C 24 57.337 59.437 -2.100 1
1 318 . 13 1 1 A 25 25 ARG CB C 24 28.663 30.243 -1.580 1
1 322 . 13 1 1 A 25 25 ARG N N 24 121.816 120.877 0.939 1
1 324 . 13 1 1 A 26 26 GLU H H 25 7.133 8.597 -1.464 1
1 325 . 13 1 1 A 26 26 GLU HA H 25 4.052 4.223 -0.171 1
1 330 . 13 1 1 A 26 26 GLU C C 25 178.158 176.723 1.435 1
1 331 . 13 1 1 A 26 26 GLU CA C 25 58.367 57.275 1.092 1
1 332 . 13 1 1 A 26 26 GLU CB C 25 29.903 30.077 -0.174 1
1 334 . 13 1 1 A 26 26 GLU N N 25 116.794 117.254 -0.460 1
1 335 . 13 1 1 A 27 27 GLN H H 26 7.283 8.178 -0.895 1
1 336 . 13 1 1 A 27 27 GLN HA H 26 3.888 4.311 -0.423 1
1 343 . 13 1 1 A 27 27 GLN C C 26 176.088 175.800 0.288 1
1 344 . 13 1 1 A 27 27 GLN CA C 26 57.676 57.033 0.643 1
1 345 . 13 1 1 A 27 27 GLN CB C 26 30.382 30.485 -0.103 1
1 348 . 13 1 1 A 27 27 GLN N N 26 116.373 117.743 -1.370 1
1 350 . 13 1 1 A 28 28 HIS H H 27 8.223 8.566 -0.343 1
1 351 . 13 1 1 A 28 28 HIS HA H 27 4.941 5.072 -0.131 1
1 356 . 13 1 1 A 28 28 HIS CA C 27 53.278 53.063 0.215 1
1 357 . 13 1 1 A 28 28 HIS CB C 27 30.933 29.794 1.139 1
1 360 . 13 1 1 A 28 28 HIS N N 27 115.408 116.414 -1.006 1
1 361 . 13 1 1 A 29 29 PRO HA H 28 4.562 4.312 0.250 1
1 368 . 13 1 1 A 29 29 PRO C C 28 178.046 177.665 0.381 1
1 369 . 13 1 1 A 29 29 PRO CA C 28 64.821 64.798 0.023 1
1 370 . 13 1 1 A 29 29 PRO CB C 28 32.447 32.141 0.306 1
1 373 . 13 1 1 A 30 30 THR H H 29 7.820 7.751 0.069 1
1 374 . 13 1 1 A 30 30 THR HA H 29 4.583 4.357 0.226 1
1 379 . 13 1 1 A 30 30 THR C C 29 172.723 173.380 -0.657 1
1 380 . 13 1 1 A 30 30 THR CA C 29 60.826 61.426 -0.600 1
1 381 . 13 1 1 A 30 30 THR CB C 29 68.641 68.804 -0.163 1
1 383 . 13 1 1 A 30 30 THR N N 29 106.682 107.704 -1.022 1
1 384 . 13 1 1 A 31 31 LYS H H 30 7.453 7.558 -0.105 1
1 385 . 13 1 1 A 31 31 LYS HA H 30 4.850 4.797 0.053 1
1 394 . 13 1 1 A 31 31 LYS C C 30 174.296 174.762 -0.466 1
1 395 . 13 1 1 A 31 31 LYS CA C 30 53.944 54.642 -0.698 1
1 396 . 13 1 1 A 31 31 LYS CB C 30 36.098 36.923 -0.825 1
1 400 . 13 1 1 A 31 31 LYS N N 30 117.809 120.680 -2.871 1
1 401 . 13 1 1 A 32 32 ILE H H 31 9.265 9.433 -0.168 1
1 402 . 13 1 1 A 32 32 ILE HA H 31 4.106 4.170 -0.064 1
1 412 . 13 1 1 A 32 32 ILE CA C 31 54.606 57.660 -3.054 1
1 413 . 13 1 1 A 32 32 ILE CB C 31 38.448 38.516 -0.068 1
1 417 . 13 1 1 A 32 32 ILE N N 31 122.497 122.838 -0.341 1
1 418 . 13 1 1 A 33 33 PRO HA H 32 5.252 4.872 0.380 1
1 425 . 13 1 1 A 33 33 PRO C C 32 174.652 176.658 -2.006 1
1 426 . 13 1 1 A 33 33 PRO CA C 32 61.704 62.519 -0.815 1
1 427 . 13 1 1 A 33 33 PRO CB C 32 31.873 31.843 0.030 1
1 430 . 13 1 1 A 34 34 VAL H H 33 9.359 8.191 1.168 1
1 431 . 13 1 1 A 34 34 VAL HA H 33 5.298 5.021 0.277 1
1 439 . 13 1 1 A 34 34 VAL C C 33 173.633 174.553 -0.920 1
1 440 . 13 1 1 A 34 34 VAL CA C 33 59.830 59.587 0.243 1
1 441 . 13 1 1 A 34 34 VAL CB C 33 36.154 36.019 0.135 1
1 444 . 13 1 1 A 34 34 VAL N N 33 124.496 116.606 7.890 1
1 445 . 13 1 1 A 35 35 ILE H H 34 8.667 9.175 -0.508 1
1 446 . 13 1 1 A 35 35 ILE HA H 34 4.867 4.705 0.162 1
1 456 . 13 1 1 A 35 35 ILE C C 34 175.770 174.874 0.896 1
1 457 . 13 1 1 A 35 35 ILE CA C 34 56.320 60.341 -4.021 1
1 458 . 13 1 1 A 35 35 ILE CB C 34 36.909 39.069 -2.160 1
1 462 . 13 1 1 A 35 35 ILE N N 34 127.447 123.096 4.351 1
1 463 . 13 1 1 A 36 36 ILE H H 35 8.422 8.906 -0.484 1
1 464 . 13 1 1 A 36 36 ILE HA H 35 4.890 4.935 -0.045 1
1 474 . 13 1 1 A 36 36 ILE C C 35 175.098 175.761 -0.663 1
1 475 . 13 1 1 A 36 36 ILE CA C 35 60.806 60.690 0.116 1
1 476 . 13 1 1 A 36 36 ILE CB C 35 39.357 38.429 0.928 1
1 480 . 13 1 1 A 36 36 ILE N N 35 124.267 128.978 -4.711 1
1 481 . 13 1 1 A 37 37 GLU H H 36 8.335 8.838 -0.503 1
1 482 . 13 1 1 A 37 37 GLU HA H 36 4.820 4.920 -0.100 1
1 487 . 13 1 1 A 37 37 GLU C C 36 173.502 175.593 -2.091 1
1 488 . 13 1 1 A 37 37 GLU CA C 36 54.214 54.073 0.141 1
1 489 . 13 1 1 A 37 37 GLU CB C 36 35.547 33.530 2.017 1
1 491 . 13 1 1 A 37 37 GLU N N 36 123.296 126.462 -3.166 1
1 492 . 13 1 1 A 38 38 ARG H H 37 8.891 8.167 0.724 1
1 493 . 13 1 1 A 38 38 ARG HA H 37 2.755 3.629 -0.874 1
1 501 . 13 1 1 A 38 38 ARG C C 37 176.165 175.268 0.897 1
1 502 . 13 1 1 A 38 38 ARG CA C 37 56.235 55.973 0.262 1
1 503 . 13 1 1 A 38 38 ARG CB C 37 31.328 30.285 1.043 1
1 507 . 13 1 1 A 38 38 ARG N N 37 123.143 121.384 1.759 1
1 509 . 13 1 1 A 39 39 TYR H H 38 8.681 8.156 0.525 1
1 510 . 13 1 1 A 39 39 TYR HA H 38 4.331 4.384 -0.053 1
1 517 . 13 1 1 A 39 39 TYR C C 38 177.064 175.245 1.819 1
1 518 . 13 1 1 A 39 39 TYR CA C 38 57.769 58.862 -1.093 1
1 519 . 13 1 1 A 39 39 TYR CB C 38 39.552 39.089 0.463 1
1 522 . 13 1 1 A 39 39 TYR N N 38 128.699 122.964 5.735 1
1 523 . 13 1 1 A 40 40 LYS H H 39 8.454 8.019 0.435 1
1 524 . 13 1 1 A 40 40 LYS HA H 39 3.841 4.027 -0.186 1
1 533 . 13 1 1 A 40 40 LYS C C 39 176.290 176.964 -0.674 1
1 534 . 13 1 1 A 40 40 LYS CA C 39 58.772 56.992 1.780 1
1 535 . 13 1 1 A 40 40 LYS CB C 39 31.738 31.754 -0.016 1
1 539 . 13 1 1 A 40 40 LYS N N 39 130.022 123.651 6.371 1
1 540 . 13 1 1 A 41 41 GLY H H 40 5.457 9.060 -3.603 1
1 541 . 13 1 1 A 41 41 GLY HA2 H 40 3.306 4.021 -0.715 1
1 542 . 13 1 1 A 41 41 GLY HA3 H 40 3.999 4.110 -0.111 1
1 543 . 13 1 1 A 41 41 GLY C C 40 173.426 174.160 -0.734 1
1 544 . 13 1 1 A 41 41 GLY CA C 40 44.673 45.159 -0.486 1
1 545 . 13 1 1 A 41 41 GLY N N 40 104.628 113.471 -8.843 1
1 546 . 13 1 1 A 42 42 GLU H H 41 7.440 8.319 -0.879 1
1 547 . 13 1 1 A 42 42 GLU HA H 41 4.278 4.488 -0.210 1
1 552 . 13 1 1 A 42 42 GLU C C 41 176.306 176.466 -0.160 1
1 553 . 13 1 1 A 42 42 GLU CA C 41 56.358 55.583 0.775 1
1 554 . 13 1 1 A 42 42 GLU CB C 41 31.014 29.467 1.547 1
1 556 . 13 1 1 A 42 42 GLU N N 41 122.648 120.805 1.843 1
1 557 . 13 1 1 A 43 43 LYS H H 42 8.912 8.436 0.476 1
1 558 . 13 1 1 A 43 43 LYS HA H 42 4.680 4.616 0.064 1
1 567 . 13 1 1 A 43 43 LYS C C 42 177.063 178.441 -1.378 1
1 568 . 13 1 1 A 43 43 LYS CA C 42 55.652 56.677 -1.025 1
1 569 . 13 1 1 A 43 43 LYS CB C 42 34.871 34.162 0.709 1
1 573 . 13 1 1 A 43 43 LYS N N 42 123.569 123.166 0.403 1
1 574 . 13 1 1 A 44 44 GLN H H 43 8.446 8.067 0.379 1
1 575 . 13 1 1 A 44 44 GLN HA H 43 4.545 4.037 0.508 1
1 582 . 13 1 1 A 44 44 GLN C C 43 177.152 177.066 0.086 1
1 583 . 13 1 1 A 44 44 GLN CA C 43 57.561 58.717 -1.156 1
1 584 . 13 1 1 A 44 44 GLN CB C 43 30.671 28.506 2.165 1
1 587 . 13 1 1 A 44 44 GLN N N 43 118.990 118.231 0.759 1
1 589 . 13 1 1 A 45 45 LEU H H 44 9.043 8.071 0.972 1
1 590 . 13 1 1 A 45 45 LEU HA H 44 4.716 4.489 0.227 1
1 600 . 13 1 1 A 45 45 LEU CA C 44 53.078 53.850 -0.772 1
1 601 . 13 1 1 A 45 45 LEU CB C 44 43.614 41.332 2.282 1
1 605 . 13 1 1 A 45 45 LEU N N 44 120.375 120.421 -0.046 1
1 606 . 13 1 1 A 46 46 PRO HA H 45 4.723 4.653 0.070 1
1 613 . 13 1 1 A 46 46 PRO C C 45 175.883 176.253 -0.370 1
1 614 . 13 1 1 A 46 46 PRO CA C 45 62.005 62.161 -0.156 1
1 615 . 13 1 1 A 46 46 PRO CB C 45 32.609 32.436 0.173 1
1 618 . 13 1 1 A 47 47 VAL H H 46 8.437 8.497 -0.060 1
1 619 . 13 1 1 A 47 47 VAL HA H 46 3.914 4.310 -0.396 1
1 627 . 13 1 1 A 47 47 VAL C C 46 175.367 176.238 -0.871 1
1 628 . 13 1 1 A 47 47 VAL CA C 46 62.700 62.288 0.412 1
1 629 . 13 1 1 A 47 47 VAL CB C 46 32.927 32.202 0.725 1
1 632 . 13 1 1 A 47 47 VAL N N 46 118.440 121.019 -2.579 1
1 633 . 13 1 1 A 48 48 LEU H H 47 7.863 8.719 -0.856 1
1 634 . 13 1 1 A 48 48 LEU HA H 47 4.384 4.212 0.172 1
1 644 . 13 1 1 A 48 48 LEU C C 47 176.088 177.991 -1.903 1
1 645 . 13 1 1 A 48 48 LEU CA C 47 54.851 55.538 -0.687 1
1 646 . 13 1 1 A 48 48 LEU CB C 47 43.841 43.911 -0.070 1
1 650 . 13 1 1 A 48 48 LEU N N 47 129.127 128.668 0.459 1
1 651 . 13 1 1 A 49 49 ASP H H 48 8.699 8.608 0.091 1
1 652 . 13 1 1 A 49 49 ASP HA H 48 4.293 4.331 -0.038 1
1 655 . 13 1 1 A 49 49 ASP C C 48 175.121 176.356 -1.235 1
1 656 . 13 1 1 A 49 49 ASP CA C 48 55.717 57.554 -1.837 1
1 657 . 13 1 1 A 49 49 ASP CB C 48 40.260 40.761 -0.501 1
1 658 . 13 1 1 A 49 49 ASP N N 48 121.389 124.049 -2.660 1
1 659 . 13 1 1 A 50 50 LYS H H 49 7.251 7.494 -0.243 1
1 660 . 13 1 1 A 50 50 LYS HA H 49 4.540 4.497 0.043 1
1 669 . 13 1 1 A 50 50 LYS C C 49 174.664 175.279 -0.615 1
1 670 . 13 1 1 A 50 50 LYS CA C 49 53.211 55.140 -1.929 1
1 671 . 13 1 1 A 50 50 LYS CB C 49 35.514 33.359 2.155 1
1 675 . 13 1 1 A 50 50 LYS N N 49 118.260 114.312 3.948 1
1 676 . 13 1 1 A 51 51 THR H H 50 8.162 8.144 0.018 1
1 677 . 13 1 1 A 51 51 THR HA H 50 4.685 4.703 -0.018 1
1 682 . 13 1 1 A 51 51 THR C C 50 171.631 174.491 -2.860 1
1 683 . 13 1 1 A 51 51 THR CA C 50 63.581 62.968 0.613 1
1 684 . 13 1 1 A 51 51 THR CB C 50 71.587 70.224 1.363 1
1 686 . 13 1 1 A 51 51 THR N N 50 112.535 113.108 -0.573 1
1 687 . 13 1 1 A 52 52 LYS H H 51 6.971 7.459 -0.488 1
1 688 . 13 1 1 A 52 52 LYS HA H 51 4.443 4.598 -0.155 1
1 697 . 13 1 1 A 52 52 LYS C C 51 175.417 176.051 -0.634 1
1 698 . 13 1 1 A 52 52 LYS CA C 51 55.209 55.482 -0.273 1
1 699 . 13 1 1 A 52 52 LYS CB C 51 33.309 33.539 -0.230 1
1 703 . 13 1 1 A 52 52 LYS N N 51 120.227 119.616 0.611 1
1 704 . 13 1 1 A 53 53 PHE H H 52 9.688 9.062 0.626 1
1 705 . 13 1 1 A 53 53 PHE HA H 52 5.675 4.929 0.746 1
1 712 . 13 1 1 A 53 53 PHE C C 52 174.348 174.555 -0.207 1
1 713 . 13 1 1 A 53 53 PHE CA C 52 56.625 56.822 -0.197 1
1 714 . 13 1 1 A 53 53 PHE CB C 52 43.109 43.656 -0.547 1
1 716 . 13 1 1 A 53 53 PHE N N 52 124.646 122.398 2.248 1
1 717 . 13 1 1 A 54 54 LEU H H 53 8.470 9.097 -0.627 1
1 718 . 13 1 1 A 54 54 LEU HA H 53 5.044 4.774 0.270 1
1 728 . 13 1 1 A 54 54 LEU C C 53 176.144 175.877 0.267 1
1 729 . 13 1 1 A 54 54 LEU CA C 53 52.954 53.333 -0.379 1
1 730 . 13 1 1 A 54 54 LEU CB C 53 45.081 42.789 2.292 1
1 734 . 13 1 1 A 54 54 LEU N N 53 119.430 122.995 -3.565 1
1 735 . 13 1 1 A 55 55 VAL H H 54 8.802 8.746 0.056 1
1 736 . 13 1 1 A 55 55 VAL HA H 54 4.640 4.540 0.100 1
1 744 . 13 1 1 A 55 55 VAL CA C 54 58.549 59.700 -1.151 1
1 745 . 13 1 1 A 55 55 VAL CB C 54 35.342 31.785 3.557 1
1 748 . 13 1 1 A 55 55 VAL N N 54 123.841 126.019 -2.178 1
1 749 . 13 1 1 A 56 56 PRO HA H 55 4.439 4.736 -0.297 1
1 756 . 13 1 1 A 56 56 PRO C C 55 176.666 176.651 0.015 1
1 757 . 13 1 1 A 56 56 PRO CA C 55 64.256 62.587 1.669 1
1 758 . 13 1 1 A 56 56 PRO CB C 55 32.783 32.271 0.512 1
1 761 . 13 1 1 A 57 57 ASP H H 56 8.412 8.391 0.021 1
1 762 . 13 1 1 A 57 57 ASP HA H 56 3.848 4.630 -0.782 1
1 765 . 13 1 1 A 57 57 ASP C C 56 175.417 176.755 -1.338 1
1 766 . 13 1 1 A 57 57 ASP CA C 56 56.616 53.803 2.813 1
1 767 . 13 1 1 A 57 57 ASP CB C 56 40.410 40.379 0.031 1
1 768 . 13 1 1 A 57 57 ASP N N 56 120.415 122.365 -1.950 1
1 769 . 13 1 1 A 58 58 HIS H H 57 7.373 8.114 -0.741 1
1 770 . 13 1 1 A 58 58 HIS HA H 57 4.770 4.909 -0.139 1
1 775 . 13 1 1 A 58 58 HIS C C 57 176.594 174.080 2.514 1
1 776 . 13 1 1 A 58 58 HIS CA C 57 55.584 55.102 0.482 1
1 777 . 13 1 1 A 58 58 HIS CB C 57 30.628 31.654 -1.026 1
1 780 . 13 1 1 A 58 58 HIS N N 57 113.439 114.349 -0.910 1
1 781 . 13 1 1 A 59 59 VAL H H 58 7.249 7.694 -0.445 1
1 782 . 13 1 1 A 59 59 VAL HA H 58 3.903 4.652 -0.749 1
1 790 . 13 1 1 A 59 59 VAL C C 58 175.014 173.869 1.145 1
1 791 . 13 1 1 A 59 59 VAL CA C 58 62.726 58.958 3.768 1
1 792 . 13 1 1 A 59 59 VAL CB C 58 32.190 36.426 -4.236 1
1 795 . 13 1 1 A 59 59 VAL N N 58 122.597 115.540 7.057 1
1 796 . 13 1 1 A 60 60 ASN H H 59 8.677 8.404 0.273 1
1 797 . 13 1 1 A 60 60 ASN HA H 59 5.187 5.070 0.117 1
1 802 . 13 1 1 A 60 60 ASN C C 59 176.477 177.108 -0.631 1
1 803 . 13 1 1 A 60 60 ASN CA C 59 51.181 51.032 0.149 1
1 804 . 13 1 1 A 60 60 ASN CB C 59 39.947 41.226 -1.279 1
1 806 . 13 1 1 A 60 60 ASN N N 59 122.962 118.318 4.644 1
1 808 . 13 1 1 A 61 61 MET H H 60 8.038 8.739 -0.701 1
1 809 . 13 1 1 A 61 61 MET HA H 60 4.426 4.224 0.202 1
1 817 . 13 1 1 A 61 61 MET C C 60 177.996 178.416 -0.420 1
1 818 . 13 1 1 A 61 61 MET CA C 60 57.118 58.234 -1.116 1
1 819 . 13 1 1 A 61 61 MET CB C 60 29.998 32.037 -2.039 1
1 822 . 13 1 1 A 61 61 MET N N 60 116.814 119.260 -2.446 1
1 823 . 13 1 1 A 62 62 SER H H 61 8.401 8.160 0.241 1
1 824 . 13 1 1 A 62 62 SER HA H 61 4.132 4.130 0.002 1
1 827 . 13 1 1 A 62 62 SER C C 61 177.255 177.233 0.022 1
1 828 . 13 1 1 A 62 62 SER CA C 61 61.559 61.488 0.071 1
1 829 . 13 1 1 A 62 62 SER CB C 61 62.430 63.174 -0.744 1
1 830 . 13 1 1 A 62 62 SER N N 61 114.109 115.714 -1.605 1
1 831 . 13 1 1 A 63 63 GLU H H 62 8.014 8.081 -0.067 1
1 832 . 13 1 1 A 63 63 GLU HA H 62 4.016 4.003 0.013 1
1 837 . 13 1 1 A 63 63 GLU C C 62 178.327 178.994 -0.667 1
1 838 . 13 1 1 A 63 63 GLU CA C 62 58.787 59.418 -0.631 1
1 839 . 13 1 1 A 63 63 GLU CB C 62 29.814 29.383 0.431 1
1 841 . 13 1 1 A 63 63 GLU N N 62 122.806 121.599 1.207 1
1 842 . 13 1 1 A 64 64 LEU H H 63 8.254 8.193 0.061 1
1 843 . 13 1 1 A 64 64 LEU HA H 63 3.932 4.025 -0.093 1
1 853 . 13 1 1 A 64 64 LEU C C 63 178.029 178.470 -0.441 1
1 854 . 13 1 1 A 64 64 LEU CA C 63 57.986 58.029 -0.043 1
1 855 . 13 1 1 A 64 64 LEU CB C 63 41.377 41.652 -0.275 1
1 859 . 13 1 1 A 64 64 LEU N N 63 120.526 121.843 -1.317 1
1 860 . 13 1 1 A 65 65 ILE H H 64 8.415 8.452 -0.037 1
1 861 . 13 1 1 A 65 65 ILE HA H 64 3.377 3.806 -0.429 1
1 871 . 13 1 1 A 65 65 ILE C C 64 177.078 178.474 -1.396 1
1 872 . 13 1 1 A 65 65 ILE CA C 64 66.699 65.440 1.259 1
1 873 . 13 1 1 A 65 65 ILE CB C 64 38.128 37.500 0.628 1
1 877 . 13 1 1 A 65 65 ILE N N 64 118.349 119.640 -1.291 1
1 878 . 13 1 1 A 66 66 LYS H H 65 7.366 8.545 -1.179 1
1 879 . 13 1 1 A 66 66 LYS HA H 65 3.696 4.090 -0.394 1
1 888 . 13 1 1 A 66 66 LYS C C 65 179.260 179.191 0.069 1
1 889 . 13 1 1 A 66 66 LYS CA C 65 60.593 59.186 1.407 1
1 890 . 13 1 1 A 66 66 LYS CB C 65 32.421 32.216 0.205 1
1 894 . 13 1 1 A 66 66 LYS N N 65 118.334 120.228 -1.894 1
1 895 . 13 1 1 A 67 67 ILE H H 66 8.179 7.980 0.199 1
1 896 . 13 1 1 A 67 67 ILE HA H 66 3.546 3.630 -0.084 1
1 906 . 13 1 1 A 67 67 ILE C C 66 178.784 177.648 1.136 1
1 907 . 13 1 1 A 67 67 ILE CA C 66 65.488 65.398 0.090 1
1 908 . 13 1 1 A 67 67 ILE CB C 66 38.593 38.016 0.577 1
1 912 . 13 1 1 A 67 67 ILE N N 66 119.791 120.272 -0.481 1
1 913 . 13 1 1 A 68 68 ILE H H 67 8.279 8.327 -0.048 1
1 914 . 13 1 1 A 68 68 ILE HA H 67 3.391 3.294 0.097 1
1 924 . 13 1 1 A 68 68 ILE C C 67 177.403 177.695 -0.292 1
1 925 . 13 1 1 A 68 68 ILE CA C 67 63.144 65.230 -2.086 1
1 926 . 13 1 1 A 68 68 ILE CB C 67 35.269 37.631 -2.362 1
1 930 . 13 1 1 A 68 68 ILE N N 67 120.267 119.961 0.306 1
1 931 . 13 1 1 A 69 69 ARG H H 68 8.454 7.906 0.548 1
1 932 . 13 1 1 A 69 69 ARG HA H 68 2.966 3.467 -0.501 1
1 939 . 13 1 1 A 69 69 ARG C C 68 178.385 177.434 0.951 1
1 940 . 13 1 1 A 69 69 ARG CA C 68 60.642 57.675 2.967 1
1 941 . 13 1 1 A 69 69 ARG CB C 68 30.442 29.626 0.816 1
1 944 . 13 1 1 A 69 69 ARG N N 68 118.881 120.154 -1.273 1
1 945 . 13 1 1 A 70 70 ARG H H 69 7.492 7.864 -0.372 1
1 946 . 13 1 1 A 70 70 ARG HA H 69 4.164 4.113 0.051 1
1 954 . 13 1 1 A 70 70 ARG C C 69 180.253 178.631 1.622 1
1 955 . 13 1 1 A 70 70 ARG CA C 69 58.510 58.613 -0.103 1
1 956 . 13 1 1 A 70 70 ARG CB C 69 29.587 29.788 -0.201 1
1 960 . 13 1 1 A 70 70 ARG N N 69 116.411 118.460 -2.049 1
1 962 . 13 1 1 A 71 71 ARG H H 70 8.086 8.100 -0.014 1
1 963 . 13 1 1 A 71 71 ARG HA H 70 4.025 4.104 -0.079 1
1 970 . 13 1 1 A 71 71 ARG C C 70 178.558 178.450 0.108 1
1 971 . 13 1 1 A 71 71 ARG CA C 70 59.428 58.723 0.705 1
1 972 . 13 1 1 A 71 71 ARG CB C 70 30.235 30.695 -0.460 1
1 975 . 13 1 1 A 71 71 ARG N N 70 122.779 118.899 3.880 1
1 976 . 13 1 1 A 72 72 LEU H H 71 7.755 7.728 0.027 1
1 977 . 13 1 1 A 72 72 LEU HA H 71 4.081 4.044 0.037 1
1 987 . 13 1 1 A 72 72 LEU C C 71 174.852 176.787 -1.935 1
1 988 . 13 1 1 A 72 72 LEU CA C 71 55.060 56.465 -1.405 1
1 989 . 13 1 1 A 72 72 LEU CB C 71 43.109 41.709 1.400 1
1 993 . 13 1 1 A 72 72 LEU N N 71 116.551 119.228 -2.677 1
1 994 . 13 1 1 A 73 73 GLN H H 72 7.740 7.596 0.144 1
1 995 . 13 1 1 A 73 73 GLN HA H 72 3.853 3.949 -0.096 1
1 1002 . 13 1 1 A 73 73 GLN C C 72 175.619 174.949 0.670 1
1 1003 . 13 1 1 A 73 73 GLN CA C 72 56.273 56.535 -0.262 1
1 1004 . 13 1 1 A 73 73 GLN CB C 72 25.939 26.419 -0.480 1
1 1007 . 13 1 1 A 73 73 GLN N N 72 114.737 117.629 -2.892 1
1 1009 . 13 1 1 A 74 74 LEU H H 73 7.525 7.946 -0.421 1
1 1010 . 13 1 1 A 74 74 LEU HA H 73 4.242 4.377 -0.135 1
1 1020 . 13 1 1 A 74 74 LEU C C 73 178.611 176.634 1.977 1
1 1021 . 13 1 1 A 74 74 LEU CA C 73 54.382 54.622 -0.240 1
1 1022 . 13 1 1 A 74 74 LEU CB C 73 41.995 42.415 -0.420 1
1 1026 . 13 1 1 A 74 74 LEU N N 73 114.861 120.299 -5.438 1
1 1027 . 13 1 1 A 75 75 ASN H H 74 8.970 8.414 0.556 1
1 1028 . 13 1 1 A 75 75 ASN HA H 74 4.694 4.979 -0.285 1
1 1033 . 13 1 1 A 75 75 ASN C C 74 176.527 177.192 -0.665 1
1 1034 . 13 1 1 A 75 75 ASN CA C 74 52.686 50.707 1.979 1
1 1035 . 13 1 1 A 75 75 ASN CB C 74 39.583 39.876 -0.293 1
1 1037 . 13 1 1 A 75 75 ASN N N 74 121.274 117.181 4.093 1
1 1039 . 13 1 1 A 76 76 ALA H H 75 8.697 8.627 0.070 1
1 1040 . 13 1 1 A 76 76 ALA HA H 75 3.966 4.132 -0.166 1
1 1044 . 13 1 1 A 76 76 ALA C C 75 178.002 179.116 -1.114 1
1 1045 . 13 1 1 A 76 76 ALA CA C 75 54.797 54.042 0.755 1
1 1046 . 13 1 1 A 76 76 ALA CB C 75 18.669 18.415 0.254 1
1 1047 . 13 1 1 A 76 76 ALA N N 75 123.590 120.928 2.662 1
1 1048 . 13 1 1 A 77 77 ASN H H 76 8.344 8.017 0.327 1
1 1049 . 13 1 1 A 77 77 ASN HA H 76 4.585 4.569 0.016 1
1 1054 . 13 1 1 A 77 77 ASN C C 76 175.371 175.534 -0.163 1
1 1055 . 13 1 1 A 77 77 ASN CA C 76 53.183 55.281 -2.098 1
1 1056 . 13 1 1 A 77 77 ASN CB C 76 38.277 39.031 -0.754 1
1 1058 . 13 1 1 A 77 77 ASN N N 76 112.004 116.272 -4.268 1
1 1060 . 13 1 1 A 78 78 GLN H H 77 7.532 7.967 -0.435 1
1 1061 . 13 1 1 A 78 78 GLN HA H 77 4.281 4.580 -0.299 1
1 1068 . 13 1 1 A 78 78 GLN C C 77 175.001 174.738 0.263 1
1 1069 . 13 1 1 A 78 78 GLN CA C 77 55.875 55.926 -0.051 1
1 1070 . 13 1 1 A 78 78 GLN CB C 77 30.227 29.860 0.367 1
1 1073 . 13 1 1 A 78 78 GLN N N 77 120.237 119.275 0.962 1
1 1075 . 13 1 1 A 79 79 ALA H H 78 8.732 8.592 0.140 1
1 1076 . 13 1 1 A 79 79 ALA HA H 78 4.183 5.340 -1.157 1
1 1080 . 13 1 1 A 79 79 ALA C C 78 176.367 175.380 0.987 1
1 1081 . 13 1 1 A 79 79 ALA CA C 78 52.798 50.113 2.685 1
1 1082 . 13 1 1 A 79 79 ALA CB C 78 20.051 21.560 -1.509 1
1 1083 . 13 1 1 A 79 79 ALA N N 78 130.399 128.452 1.947 1
1 1084 . 13 1 1 A 80 80 PHE H H 79 7.603 8.726 -1.123 1
1 1085 . 13 1 1 A 80 80 PHE HA H 79 4.449 5.154 -0.705 1
1 1093 . 13 1 1 A 80 80 PHE C C 79 171.709 173.085 -1.376 1
1 1094 . 13 1 1 A 80 80 PHE CA C 79 59.101 56.076 3.025 1
1 1095 . 13 1 1 A 80 80 PHE CB C 79 42.282 42.614 -0.332 1
1 1099 . 13 1 1 A 80 80 PHE N N 79 118.988 124.692 -5.704 1
1 1100 . 13 1 1 A 81 81 PHE H H 80 8.507 9.288 -0.781 1
1 1101 . 13 1 1 A 81 81 PHE HA H 80 4.421 4.384 0.037 1
1 1109 . 13 1 1 A 81 81 PHE C C 80 172.644 173.784 -1.140 1
1 1110 . 13 1 1 A 81 81 PHE CA C 80 56.711 55.822 0.889 1
1 1111 . 13 1 1 A 81 81 PHE CB C 80 41.880 42.850 -0.970 1
1 1115 . 13 1 1 A 81 81 PHE N N 80 126.042 124.436 1.606 1
1 1116 . 13 1 1 A 82 82 LEU H H 81 8.199 8.768 -0.569 1
1 1117 . 13 1 1 A 82 82 LEU HA H 81 4.883 4.961 -0.078 1
1 1127 . 13 1 1 A 82 82 LEU C C 81 174.440 174.801 -0.361 1
1 1128 . 13 1 1 A 82 82 LEU CA C 81 53.153 53.869 -0.716 1
1 1129 . 13 1 1 A 82 82 LEU CB C 81 45.520 43.795 1.725 1
1 1133 . 13 1 1 A 82 82 LEU N N 81 121.512 125.291 -3.779 1
1 1134 . 13 1 1 A 83 83 LEU H H 82 9.349 9.803 -0.454 1
1 1135 . 13 1 1 A 83 83 LEU HA H 82 4.810 5.004 -0.194 1
1 1145 . 13 1 1 A 83 83 LEU C C 82 177.075 175.734 1.341 1
1 1146 . 13 1 1 A 83 83 LEU CA C 82 54.122 53.667 0.455 1
1 1147 . 13 1 1 A 83 83 LEU CB C 82 43.394 42.409 0.985 1
1 1151 . 13 1 1 A 83 83 LEU N N 82 125.253 128.507 -3.254 1
1 1152 . 13 1 1 A 84 84 VAL H H 83 8.681 8.942 -0.261 1
1 1153 . 13 1 1 A 84 84 VAL HA H 83 4.411 3.817 0.594 1
1 1161 . 13 1 1 A 84 84 VAL C C 83 175.797 176.060 -0.263 1
1 1162 . 13 1 1 A 84 84 VAL CA C 83 61.630 62.640 -1.010 1
1 1163 . 13 1 1 A 84 84 VAL CB C 83 33.647 31.037 2.610 1
1 1166 . 13 1 1 A 84 84 VAL N N 83 123.543 125.706 -2.163 1
1 1167 . 13 1 1 A 85 85 ASN H H 84 9.622 9.463 0.159 1
1 1168 . 13 1 1 A 85 85 ASN HA H 84 4.399 4.787 -0.388 1
1 1173 . 13 1 1 A 85 85 ASN C C 84 175.042 174.982 0.060 1
1 1174 . 13 1 1 A 85 85 ASN CA C 84 54.610 54.244 0.366 1
1 1175 . 13 1 1 A 85 85 ASN CB C 84 37.927 36.906 1.021 1
1 1177 . 13 1 1 A 85 85 ASN N N 84 125.848 127.251 -1.403 1
1 1179 . 13 1 1 A 86 86 GLY H H 85 8.551 8.118 0.433 1
1 1180 . 13 1 1 A 86 86 GLY HA2 H 85 3.368 3.913 -0.545 1
1 1181 . 13 1 1 A 86 86 GLY HA3 H 85 4.064 3.925 0.139 1
1 1182 . 13 1 1 A 86 86 GLY C C 85 173.524 173.756 -0.232 1
1 1183 . 13 1 1 A 86 86 GLY CA C 85 45.588 45.514 0.074 1
1 1184 . 13 1 1 A 86 86 GLY N N 85 101.093 104.134 -3.041 1
1 1185 . 13 1 1 A 87 87 HIS H H 86 7.906 7.458 0.448 1
1 1186 . 13 1 1 A 87 87 HIS HA H 86 5.003 5.291 -0.288 1
1 1191 . 13 1 1 A 87 87 HIS C C 86 173.910 174.372 -0.462 1
1 1192 . 13 1 1 A 87 87 HIS CA C 86 54.213 53.883 0.330 1
1 1193 . 13 1 1 A 87 87 HIS CB C 86 31.482 33.122 -1.640 1
1 1196 . 13 1 1 A 87 87 HIS N N 86 117.253 115.096 2.157 1
1 1197 . 13 1 1 A 88 88 SER H H 87 8.846 9.071 -0.225 1
1 1198 . 13 1 1 A 88 88 SER HA H 87 4.702 4.479 0.223 1
1 1201 . 13 1 1 A 88 88 SER C C 87 175.739 175.382 0.357 1
1 1202 . 13 1 1 A 88 88 SER CA C 87 58.245 58.052 0.193 1
1 1203 . 13 1 1 A 88 88 SER CB C 87 63.764 64.864 -1.100 1
1 1204 . 13 1 1 A 88 88 SER N N 87 117.469 115.146 2.323 1
1 1205 . 13 1 1 A 89 89 MET H H 88 9.174 8.559 0.615 1
1 1206 . 13 1 1 A 89 89 MET HA H 88 4.820 4.805 0.015 1
1 1214 . 13 1 1 A 89 89 MET C C 88 176.294 176.504 -0.210 1
1 1215 . 13 1 1 A 89 89 MET CA C 88 54.853 54.629 0.224 1
1 1216 . 13 1 1 A 89 89 MET CB C 88 33.183 33.236 -0.053 1
1 1219 . 13 1 1 A 89 89 MET N N 88 125.111 117.278 7.833 1
1 1220 . 13 1 1 A 90 90 VAL H H 89 8.217 7.562 0.655 1
1 1221 . 13 1 1 A 90 90 VAL HA H 89 4.063 3.709 0.354 1
1 1229 . 13 1 1 A 90 90 VAL C C 89 176.249 176.891 -0.642 1
1 1230 . 13 1 1 A 90 90 VAL CA C 89 63.377 63.555 -0.178 1
1 1231 . 13 1 1 A 90 90 VAL CB C 89 32.473 31.601 0.872 1
1 1234 . 13 1 1 A 90 90 VAL N N 89 120.477 122.307 -1.830 1
1 1235 . 13 1 1 A 91 91 SER H H 90 8.356 8.963 -0.607 1
1 1236 . 13 1 1 A 91 91 SER HA H 90 4.614 4.295 0.319 1
1 1239 . 13 1 1 A 91 91 SER C C 90 175.841 174.201 1.640 1
1 1240 . 13 1 1 A 91 91 SER CA C 90 57.860 59.438 -1.578 1
1 1241 . 13 1 1 A 91 91 SER CB C 90 63.398 61.038 2.360 1
1 1242 . 13 1 1 A 91 91 SER N N 90 116.676 124.727 -8.051 1
1 1243 . 13 1 1 A 92 92 VAL H H 91 8.158 7.826 0.332 1
1 1244 . 13 1 1 A 92 92 VAL HA H 91 4.245 3.978 0.267 1
1 1252 . 13 1 1 A 92 92 VAL C C 91 175.856 176.094 -0.238 1
1 1253 . 13 1 1 A 92 92 VAL CA C 91 63.121 63.400 -0.279 1
1 1254 . 13 1 1 A 92 92 VAL CB C 91 31.872 32.202 -0.330 1
1 1257 . 13 1 1 A 92 92 VAL N N 91 119.994 123.082 -3.088 1
1 1258 . 13 1 1 A 93 93 SER H H 92 8.368 8.883 -0.515 1
1 1259 . 13 1 1 A 93 93 SER HA H 92 4.581 4.777 -0.196 1
1 1262 . 13 1 1 A 93 93 SER C C 92 174.154 173.499 0.655 1
1 1263 . 13 1 1 A 93 93 SER CA C 92 57.706 57.322 0.384 1
1 1264 . 13 1 1 A 93 93 SER CB C 92 63.126 64.387 -1.261 1
1 1265 . 13 1 1 A 93 93 SER N N 92 116.504 126.601 -10.097 1
1 1266 . 13 1 1 A 94 94 THR H H 93 7.427 7.694 -0.267 1
1 1267 . 13 1 1 A 94 94 THR HA H 93 4.464 4.707 -0.243 1
1 1272 . 13 1 1 A 94 94 THR CA C 93 61.032 59.031 2.001 1
1 1273 . 13 1 1 A 94 94 THR CB C 93 70.505 71.291 -0.786 1
1 1275 . 13 1 1 A 94 94 THR N N 93 119.172 116.115 3.057 1
1 1276 . 13 1 1 A 95 95 PRO HA H 94 4.426 4.686 -0.260 1
1 1283 . 13 1 1 A 95 95 PRO C C 94 178.692 178.103 0.589 1
1 1284 . 13 1 1 A 95 95 PRO CA C 94 62.921 62.742 0.179 1
1 1285 . 13 1 1 A 95 95 PRO CB C 94 32.774 32.371 0.403 1
1 1288 . 13 1 1 A 96 96 ILE H H 95 9.324 9.043 0.281 1
1 1289 . 13 1 1 A 96 96 ILE HA H 95 3.956 4.009 -0.053 1
1 1299 . 13 1 1 A 96 96 ILE C C 95 176.415 177.008 -0.593 1
1 1300 . 13 1 1 A 96 96 ILE CA C 95 63.880 63.528 0.352 1
1 1301 . 13 1 1 A 96 96 ILE CB C 95 38.055 37.977 0.078 1
1 1305 . 13 1 1 A 96 96 ILE N N 95 123.862 125.611 -1.749 1
1 1306 . 13 1 1 A 97 97 SER H H 96 8.211 8.111 0.100 1
1 1307 . 13 1 1 A 97 97 SER HA H 96 3.978 4.184 -0.206 1
1 1310 . 13 1 1 A 97 97 SER C C 96 176.494 176.813 -0.319 1
1 1311 . 13 1 1 A 97 97 SER CA C 96 61.576 61.316 0.260 1
1 1312 . 13 1 1 A 97 97 SER CB C 96 61.262 62.935 -1.673 1
1 1313 . 13 1 1 A 97 97 SER N N 96 116.529 117.756 -1.227 1
1 1314 . 13 1 1 A 98 98 GLU H H 97 7.329 8.052 -0.723 1
1 1315 . 13 1 1 A 98 98 GLU HA H 97 4.290 4.311 -0.021 1
1 1320 . 13 1 1 A 98 98 GLU C C 97 179.288 178.768 0.520 1
1 1321 . 13 1 1 A 98 98 GLU CA C 97 58.705 59.231 -0.526 1
1 1322 . 13 1 1 A 98 98 GLU CB C 97 29.791 30.142 -0.351 1
1 1324 . 13 1 1 A 98 98 GLU N N 97 122.955 121.998 0.957 1
1 1325 . 13 1 1 A 99 99 VAL H H 98 7.386 8.499 -1.113 1
1 1326 . 13 1 1 A 99 99 VAL HA H 98 3.815 3.827 -0.012 1
1 1334 . 13 1 1 A 99 99 VAL C C 98 177.662 178.072 -0.410 1
1 1335 . 13 1 1 A 99 99 VAL CA C 98 65.774 66.127 -0.353 1
1 1336 . 13 1 1 A 99 99 VAL CB C 98 32.047 31.761 0.286 1
1 1339 . 13 1 1 A 99 99 VAL N N 98 120.888 120.463 0.425 1
1 1340 . 13 1 1 A 100 100 TYR H H 99 8.984 7.762 1.222 1
1 1341 . 13 1 1 A 100 100 TYR HA H 99 4.013 4.293 -0.280 1
1 1348 . 13 1 1 A 100 100 TYR C C 99 176.355 178.011 -1.656 1
1 1349 . 13 1 1 A 100 100 TYR CA C 99 62.118 60.723 1.395 1
1 1350 . 13 1 1 A 100 100 TYR CB C 99 38.921 38.566 0.355 1
1 1353 . 13 1 1 A 100 100 TYR N N 99 118.874 120.861 -1.987 1
1 1354 . 13 1 1 A 101 101 GLU H H 100 7.433 8.500 -1.067 1
1 1355 . 13 1 1 A 101 101 GLU HA H 100 3.833 4.101 -0.268 1
1 1360 . 13 1 1 A 101 101 GLU C C 100 177.674 176.793 0.881 1
1 1361 . 13 1 1 A 101 101 GLU CA C 100 58.895 57.819 1.076 1
1 1362 . 13 1 1 A 101 101 GLU CB C 100 29.577 29.043 0.534 1
1 1364 . 13 1 1 A 101 101 GLU N N 100 114.383 117.611 -3.228 1
1 1365 . 13 1 1 A 102 102 SER H H 101 7.423 8.122 -0.699 1
1 1366 . 13 1 1 A 102 102 SER HA H 101 4.552 4.722 -0.170 1
1 1369 . 13 1 1 A 102 102 SER C C 101 176.554 174.782 1.772 1
1 1370 . 13 1 1 A 102 102 SER CA C 101 60.200 58.351 1.849 1
1 1371 . 13 1 1 A 102 102 SER CB C 101 64.828 64.269 0.559 1
1 1372 . 13 1 1 A 102 102 SER N N 101 108.722 115.266 -6.544 1
1 1373 . 13 1 1 A 103 103 GLU H H 102 8.488 8.020 0.468 1
1 1374 . 13 1 1 A 103 103 GLU HA H 102 4.752 4.499 0.253 1
1 1379 . 13 1 1 A 103 103 GLU C C 102 176.653 176.358 0.295 1
1 1380 . 13 1 1 A 103 103 GLU CA C 102 55.464 57.316 -1.852 1
1 1381 . 13 1 1 A 103 103 GLU CB C 102 30.611 32.361 -1.750 1
1 1383 . 13 1 1 A 103 103 GLU N N 102 116.116 118.625 -2.509 1
1 1384 . 13 1 1 A 104 104 ARG H H 103 7.511 7.702 -0.191 1
1 1385 . 13 1 1 A 104 104 ARG HA H 103 4.241 4.184 0.057 1
1 1392 . 13 1 1 A 104 104 ARG C C 103 174.634 175.544 -0.910 1
1 1393 . 13 1 1 A 104 104 ARG CA C 103 56.926 56.201 0.725 1
1 1394 . 13 1 1 A 104 104 ARG CB C 103 29.713 30.046 -0.333 1
1 1397 . 13 1 1 A 104 104 ARG N N 103 117.180 118.232 -1.052 1
1 1398 . 13 1 1 A 105 105 ASP H H 104 9.069 8.999 0.070 1
1 1399 . 13 1 1 A 105 105 ASP HA H 104 4.774 5.003 -0.229 1
1 1402 . 13 1 1 A 105 105 ASP C C 104 177.460 177.194 0.266 1
1 1403 . 13 1 1 A 105 105 ASP CA C 104 53.852 52.638 1.214 1
1 1404 . 13 1 1 A 105 105 ASP CB C 104 43.424 43.469 -0.045 1
1 1405 . 13 1 1 A 105 105 ASP N N 104 123.349 122.171 1.178 1
1 1406 . 13 1 1 A 106 106 GLU H H 105 8.982 8.910 0.072 1
1 1407 . 13 1 1 A 106 106 GLU HA H 105 4.199 4.031 0.168 1
1 1412 . 13 1 1 A 106 106 GLU C C 105 177.398 178.137 -0.739 1
1 1413 . 13 1 1 A 106 106 GLU CA C 105 59.413 59.695 -0.282 1
1 1414 . 13 1 1 A 106 106 GLU CB C 105 29.983 29.364 0.619 1
1 1416 . 13 1 1 A 106 106 GLU N N 105 125.197 121.143 4.054 1
1 1417 . 13 1 1 A 107 107 ASP H H 106 9.873 8.108 1.765 1
1 1418 . 13 1 1 A 107 107 ASP HA H 106 4.211 4.303 -0.092 1
1 1421 . 13 1 1 A 107 107 ASP C C 106 175.775 176.703 -0.928 1
1 1422 . 13 1 1 A 107 107 ASP CA C 106 54.698 55.053 -0.355 1
1 1423 . 13 1 1 A 107 107 ASP CB C 106 40.187 41.230 -1.043 1
1 1424 . 13 1 1 A 107 107 ASP N N 106 118.717 116.822 1.895 1
1 1425 . 13 1 1 A 108 108 GLY H H 107 7.971 7.978 -0.007 1
1 1426 . 13 1 1 A 108 108 GLY HA2 H 107 3.431 3.908 -0.477 1
1 1427 . 13 1 1 A 108 108 GLY HA3 H 107 4.526 3.948 0.578 1
1 1428 . 13 1 1 A 108 108 GLY C C 107 175.138 174.310 0.828 1
1 1429 . 13 1 1 A 108 108 GLY CA C 107 45.029 45.526 -0.497 1
1 1430 . 13 1 1 A 108 108 GLY N N 107 105.017 108.514 -3.497 1
1 1431 . 13 1 1 A 109 109 PHE H H 108 9.799 7.695 2.104 1
1 1432 . 13 1 1 A 109 109 PHE HA H 108 4.607 4.734 -0.127 1
1 1440 . 13 1 1 A 109 109 PHE C C 108 175.171 174.954 0.217 1
1 1441 . 13 1 1 A 109 109 PHE CA C 108 60.222 56.708 3.514 1
1 1442 . 13 1 1 A 109 109 PHE CB C 108 40.433 41.406 -0.973 1
1 1446 . 13 1 1 A 109 109 PHE N N 108 123.309 119.283 4.026 1
1 1447 . 13 1 1 A 110 110 LEU H H 109 8.061 8.588 -0.527 1
1 1448 . 13 1 1 A 110 110 LEU HA H 109 5.022 4.439 0.583 1
1 1458 . 13 1 1 A 110 110 LEU C C 109 174.033 175.801 -1.768 1
1 1459 . 13 1 1 A 110 110 LEU CA C 109 53.539 54.841 -1.302 1
1 1460 . 13 1 1 A 110 110 LEU CB C 109 45.284 42.391 2.893 1
1 1464 . 13 1 1 A 110 110 LEU N N 109 119.999 125.309 -5.310 1
1 1465 . 13 1 1 A 111 111 TYR H H 110 9.363 9.261 0.102 1
1 1466 . 13 1 1 A 111 111 TYR HA H 110 4.906 5.009 -0.103 1
1 1473 . 13 1 1 A 111 111 TYR C C 110 176.538 174.755 1.783 1
1 1474 . 13 1 1 A 111 111 TYR CA C 110 59.335 56.542 2.793 1
1 1475 . 13 1 1 A 111 111 TYR CB C 110 39.485 40.103 -0.618 1
1 1478 . 13 1 1 A 111 111 TYR N N 110 126.322 123.173 3.149 1
1 1479 . 13 1 1 A 112 112 MET H H 111 9.496 8.512 0.984 1
1 1480 . 13 1 1 A 112 112 MET HA H 111 5.522 5.234 0.288 1
1 1488 . 13 1 1 A 112 112 MET C C 111 175.676 174.328 1.348 1
1 1489 . 13 1 1 A 112 112 MET CA C 111 54.216 54.483 -0.267 1
1 1490 . 13 1 1 A 112 112 MET CB C 111 36.821 37.281 -0.460 1
1 1493 . 13 1 1 A 112 112 MET N N 111 119.003 123.517 -4.514 1
1 1494 . 13 1 1 A 113 113 VAL H H 112 8.749 8.645 0.104 1
1 1495 . 13 1 1 A 113 113 VAL HA H 112 5.967 5.066 0.901 1
1 1503 . 13 1 1 A 113 113 VAL C C 112 174.893 174.963 -0.070 1
1 1504 . 13 1 1 A 113 113 VAL CA C 112 58.896 61.090 -2.194 1
1 1505 . 13 1 1 A 113 113 VAL CB C 112 36.149 34.629 1.520 1
1 1508 . 13 1 1 A 113 113 VAL N N 112 119.658 121.421 -1.763 1
1 1509 . 13 1 1 A 114 114 TYR H H 113 8.210 8.935 -0.725 1
1 1510 . 13 1 1 A 114 114 TYR HA H 113 6.141 6.088 0.053 1
1 1517 . 13 1 1 A 114 114 TYR C C 113 173.353 173.877 -0.524 1
1 1518 . 13 1 1 A 114 114 TYR CA C 113 54.161 55.202 -1.041 1
1 1519 . 13 1 1 A 114 114 TYR CB C 113 43.538 42.341 1.197 1
1 1522 . 13 1 1 A 114 114 TYR N N 113 118.947 122.089 -3.142 1
1 1523 . 13 1 1 A 115 115 ALA H H 114 8.483 8.993 -0.510 1
1 1524 . 13 1 1 A 115 115 ALA HA H 114 4.762 4.799 -0.037 1
1 1528 . 13 1 1 A 115 115 ALA C C 114 176.033 176.555 -0.522 1
1 1529 . 13 1 1 A 115 115 ALA CA C 114 51.223 51.238 -0.015 1
1 1530 . 13 1 1 A 115 115 ALA CB C 114 24.521 22.884 1.637 1
1 1531 . 13 1 1 A 115 115 ALA N N 114 119.557 121.821 -2.264 1
1 1532 . 13 1 1 A 116 116 SER H H 115 9.835 8.658 1.177 1
1 1533 . 13 1 1 A 116 116 SER HA H 115 4.497 4.893 -0.396 1
1 1536 . 13 1 1 A 116 116 SER C C 115 172.664 173.504 -0.840 1
1 1537 . 13 1 1 A 116 116 SER CA C 115 58.669 58.049 0.620 1
1 1538 . 13 1 1 A 116 116 SER CB C 115 63.570 62.392 1.178 1
1 1539 . 13 1 1 A 116 116 SER N N 115 114.435 115.126 -0.691 1
1 1540 . 13 1 1 A 117 117 GLN H H 116 7.180 7.696 -0.516 1
1 1541 . 13 1 1 A 117 117 GLN HA H 116 4.460 4.988 -0.528 1
1 1548 . 13 1 1 A 117 117 GLN C C 116 172.901 174.685 -1.784 1
1 1549 . 13 1 1 A 117 117 GLN CA C 116 53.974 55.086 -1.112 1
1 1550 . 13 1 1 A 117 117 GLN CB C 116 32.192 31.566 0.626 1
1 1553 . 13 1 1 A 117 117 GLN N N 116 116.449 122.661 -6.212 1
1 1555 . 13 1 1 A 118 118 GLU H H 117 7.878 8.290 -0.412 1
1 1556 . 13 1 1 A 118 118 GLU HA H 117 3.259 4.468 -1.209 1
1 1561 . 13 1 1 A 118 118 GLU C C 117 175.233 177.079 -1.846 1
1 1562 . 13 1 1 A 118 118 GLU CA C 117 56.890 55.980 0.910 1
1 1563 . 13 1 1 A 118 118 GLU CB C 117 30.325 30.222 0.103 1
1 1565 . 13 1 1 A 118 118 GLU N N 117 117.687 125.117 -7.430 1
1 1566 . 13 1 1 A 119 119 THR H H 118 6.968 7.761 -0.793 1
1 1567 . 13 1 1 A 119 119 THR HA H 118 4.082 4.599 -0.517 1
1 1572 . 13 1 1 A 119 119 THR C C 118 173.134 175.557 -2.423 1
1 1573 . 13 1 1 A 119 119 THR CA C 118 60.123 62.129 -2.006 1
1 1574 . 13 1 1 A 119 119 THR CB C 118 70.147 70.112 0.035 1
1 1576 . 13 1 1 A 119 119 THR N N 118 109.548 113.967 -4.419 1
1 1577 . 13 1 1 A 120 120 PHE H H 119 8.138 8.522 -0.384 1
1 1578 . 13 1 1 A 120 120 PHE HA H 119 4.436 4.258 0.178 1
1 1586 . 13 1 1 A 120 120 PHE C C 119 174.902 177.633 -2.731 1
1 1587 . 13 1 1 A 120 120 PHE CA C 119 56.750 60.382 -3.632 1
1 1588 . 13 1 1 A 120 120 PHE CB C 119 39.411 37.526 1.885 1
1 1592 . 13 1 1 A 120 120 PHE N N 119 121.777 120.924 0.853 1
1 1607 . 13 2 2 B 2 2 SER H H 332 8.471 7.686 0.785 1
1 1608 . 13 2 2 B 2 2 SER HA H 332 4.484 4.936 -0.452 1
1 1611 . 13 2 2 B 2 2 SER C C 332 174.962 173.251 1.711 1
1 1612 . 13 2 2 B 2 2 SER CA C 332 88.436 56.827 31.609 1
1 1613 . 13 2 2 B 2 2 SER CB C 332 93.927 64.371 29.556 1
1 1614 . 13 2 2 B 2 2 SER N N 332 147.261 114.095 33.166 1
1 1615 . 13 2 2 B 3 3 GLY H H 333 8.601 9.137 -0.536 1
1 1616 . 13 2 2 B 3 3 GLY HA2 H 333 4.022 4.152 -0.130 1
1 1617 . 13 2 2 B 3 3 GLY HA3 H 333 4.022 4.155 -0.133 1
1 1618 . 13 2 2 B 3 3 GLY C C 333 174.774 172.947 1.827 1
1 1619 . 13 2 2 B 3 3 GLY CA C 333 75.465 45.243 30.222 1
1 1620 . 13 2 2 B 3 3 GLY N N 333 141.077 114.705 26.372 1
1 1621 . 13 2 2 B 4 4 GLY H H 334 8.372 8.423 -0.051 1
1 1622 . 13 2 2 B 4 4 GLY HA2 H 334 3.980 4.239 -0.259 1
1 1623 . 13 2 2 B 4 4 GLY HA3 H 334 3.980 4.246 -0.266 1
1 1624 . 13 2 2 B 4 4 GLY C C 334 174.758 171.497 3.261 1
1 1625 . 13 2 2 B 4 4 GLY CA C 334 75.674 45.624 30.050 1
1 1626 . 13 2 2 B 4 4 GLY N N 334 138.894 111.257 27.637 1
1 1627 . 13 2 2 B 5 5 ASP H H 335 8.429 8.767 -0.338 1
1 1628 . 13 2 2 B 5 5 ASP HA H 335 4.610 5.010 -0.400 1
1 1631 . 13 2 2 B 5 5 ASP CA C 335 85.066 53.137 31.929 1
1 1632 . 13 2 2 B 5 5 ASP CB C 335 71.191 39.541 31.650 1
1 1633 . 13 2 2 B 5 5 ASP N N 335 149.637 120.465 29.172 1
1 1634 . 13 2 2 B 6 6 ASP H H 336 8.244 8.543 -0.299 1
1 1635 . 13 2 2 B 6 6 ASP HA H 336 4.559 4.791 -0.232 1
1 1638 . 13 2 2 B 6 6 ASP C C 336 175.432 175.799 -0.367 1
1 1639 . 13 2 2 B 6 6 ASP CA C 336 84.708 56.338 28.370 1
1 1640 . 13 2 2 B 6 6 ASP CB C 336 71.552 42.483 29.069 1
1 1641 . 13 2 2 B 6 6 ASP N N 336 148.885 122.314 26.571 1
1 1642 . 13 2 2 B 7 7 ASP H H 337 7.803 8.056 -0.253 1
1 1643 . 13 2 2 B 7 7 ASP HA H 337 4.655 4.920 -0.265 1
1 1646 . 13 2 2 B 7 7 ASP C C 337 175.362 175.584 -0.222 1
1 1647 . 13 2 2 B 7 7 ASP CA C 337 83.670 53.263 30.407 1
1 1648 . 13 2 2 B 7 7 ASP CB C 337 71.933 42.852 29.081 1
1 1649 . 13 2 2 B 7 7 ASP N N 337 149.563 118.008 31.555 1
1 1650 . 13 2 2 B 8 8 TRP H H 338 8.472 8.520 -0.048 1
1 1651 . 13 2 2 B 8 8 TRP HA H 338 4.174 4.856 -0.682 1
1 1660 . 13 2 2 B 8 8 TRP C C 338 175.959 176.130 -0.171 1
1 1661 . 13 2 2 B 8 8 TRP CA C 338 87.020 57.200 29.820 1
1 1662 . 13 2 2 B 8 8 TRP CB C 338 61.223 30.026 31.197 1
1 1668 . 13 2 2 B 8 8 TRP N N 338 150.172 125.408 24.764 1
1 1670 . 13 2 2 B 9 9 THR H H 339 7.994 8.821 -0.827 1
1 1671 . 13 2 2 B 9 9 THR HA H 339 4.533 4.580 -0.047 1
1 1676 . 13 2 2 B 9 9 THR C C 339 174.035 173.914 0.121 1
1 1677 . 13 2 2 B 9 9 THR CA C 339 92.659 62.046 30.613 1
1 1678 . 13 2 2 B 9 9 THR CB C 339 99.436 70.579 28.857 1
1 1680 . 13 2 2 B 9 9 THR N N 339 149.503 115.084 34.419 1
1 1681 . 13 2 2 B 10 10 HIS H H 340 9.463 8.032 1.431 1
1 1682 . 13 2 2 B 10 10 HIS HA H 340 4.677 5.372 -0.695 1
1 1687 . 13 2 2 B 10 10 HIS C C 340 175.606 174.490 1.116 1
1 1688 . 13 2 2 B 10 10 HIS CA C 340 87.024 54.083 32.941 1
1 1689 . 13 2 2 B 10 10 HIS CB C 340 61.368 31.618 29.750 1
1 1692 . 13 2 2 B 10 10 HIS N N 340 159.135 121.410 37.725 1
1 1693 . 13 2 2 B 11 11 LEU H H 341 8.398 9.186 -0.788 1
1 1694 . 13 2 2 B 11 11 LEU HA H 341 4.848 4.820 0.028 1
1 1704 . 13 2 2 B 11 11 LEU C C 341 175.919 175.878 0.041 1
1 1705 . 13 2 2 B 11 11 LEU CA C 341 83.684 54.170 29.514 1
1 1706 . 13 2 2 B 11 11 LEU CB C 341 73.601 42.348 31.253 1
1 1710 . 13 2 2 B 11 11 LEU N N 341 153.300 125.748 27.552 1
1 1711 . 13 2 2 B 12 12 SER H H 342 8.382 9.155 -0.773 1
1 1712 . 13 2 2 B 12 12 SER HA H 342 4.652 5.060 -0.408 1
1 1715 . 13 2 2 B 12 12 SER C C 342 174.263 174.632 -0.369 1
1 1716 . 13 2 2 B 12 12 SER CA C 342 86.841 57.870 28.971 1
1 1717 . 13 2 2 B 12 12 SER CB C 342 95.113 64.193 30.920 1
1 1718 . 13 2 2 B 12 12 SER N N 342 144.018 123.556 20.462 1
1 1719 . 13 2 2 B 13 13 SER H H 343 8.937 9.040 -0.103 1
1 1720 . 13 2 2 B 13 13 SER HA H 343 4.291 4.447 -0.156 1
1 1723 . 13 2 2 B 13 13 SER C C 343 174.652 174.951 -0.299 1
1 1724 . 13 2 2 B 13 13 SER CA C 343 89.546 59.618 29.928 1
1 1725 . 13 2 2 B 13 13 SER CB C 343 93.470 63.057 30.413 1
1 1726 . 13 2 2 B 13 13 SER N N 343 148.575 120.976 27.599 1
1 1727 . 13 2 2 B 14 14 LYS H H 344 8.250 8.260 -0.010 1
1 1728 . 13 2 2 B 14 14 LYS HA H 344 4.319 4.237 0.082 1
1 1737 . 13 2 2 B 14 14 LYS C C 344 176.699 177.687 -0.988 1
1 1738 . 13 2 2 B 14 14 LYS CA C 344 86.716 58.286 28.430 1
1 1739 . 13 2 2 B 14 14 LYS CB C 344 62.831 33.475 29.356 1
1 1743 . 13 2 2 B 14 14 LYS N N 344 151.908 118.603 33.305 1
1 1744 . 13 2 2 B 15 15 GLU H H 345 8.256 7.704 0.552 1
1 1745 . 13 2 2 B 15 15 GLU HA H 345 4.240 4.395 -0.155 1
1 1750 . 13 2 2 B 15 15 GLU C C 345 176.152 176.158 -0.006 1
1 1751 . 13 2 2 B 15 15 GLU CA C 345 87.152 56.569 30.583 1
1 1752 . 13 2 2 B 15 15 GLU CB C 345 60.176 30.168 30.008 1
1 1754 . 13 2 2 B 15 15 GLU N N 345 150.679 117.855 32.824 1
1 1755 . 13 2 2 B 16 16 VAL H H 346 7.762 7.357 0.405 1
1 1756 . 13 2 2 B 16 16 VAL HA H 346 4.161 4.147 0.014 1
1 1764 . 13 2 2 B 16 16 VAL C C 346 174.646 175.757 -1.111 1
1 1765 . 13 2 2 B 16 16 VAL CA C 346 91.707 60.792 30.915 1
1 1766 . 13 2 2 B 16 16 VAL CB C 346 63.107 33.980 29.127 1
1 1769 . 13 2 2 B 16 16 VAL N N 346 146.718 117.347 29.371 1
1 9 . 14 1 1 A 2 2 MET H H 1 8.414 7.541 0.873 1
1 10 . 14 1 1 A 2 2 MET HA H 1 4.826 4.677 0.149 1
1 18 . 14 1 1 A 2 2 MET CA C 1 53.382 54.671 -1.289 1
1 19 . 14 1 1 A 2 2 MET CB C 1 32.478 32.081 0.397 1
1 22 . 14 1 1 A 2 2 MET N N 1 122.882 122.011 0.871 1
1 23 . 14 1 1 A 3 3 PRO HA H 2 4.425 4.349 0.076 1
1 30 . 14 1 1 A 3 3 PRO C C 2 176.847 176.754 0.093 1
1 31 . 14 1 1 A 3 3 PRO CA C 2 63.386 63.255 0.131 1
1 32 . 14 1 1 A 3 3 PRO CB C 2 32.077 32.223 -0.146 1
1 35 . 14 1 1 A 4 4 SER H H 3 8.347 8.560 -0.213 1
1 36 . 14 1 1 A 4 4 SER HA H 3 4.391 3.904 0.487 1
1 39 . 14 1 1 A 4 4 SER C C 3 174.643 173.321 1.322 1
1 40 . 14 1 1 A 4 4 SER CA C 3 58.336 58.904 -0.568 1
1 41 . 14 1 1 A 4 4 SER CB C 3 63.798 61.933 1.865 1
1 42 . 14 1 1 A 4 4 SER N N 3 115.234 112.013 3.221 1
1 43 . 14 1 1 A 5 5 GLU H H 4 8.472 7.852 0.620 1
1 44 . 14 1 1 A 5 5 GLU HA H 4 4.297 4.536 -0.239 1
1 49 . 14 1 1 A 5 5 GLU C C 4 176.352 176.263 0.089 1
1 50 . 14 1 1 A 5 5 GLU CA C 4 56.572 55.985 0.587 1
1 51 . 14 1 1 A 5 5 GLU CB C 4 30.285 30.762 -0.477 1
1 53 . 14 1 1 A 5 5 GLU N N 4 123.045 117.306 5.739 1
1 54 . 14 1 1 A 6 6 LYS H H 5 8.214 8.316 -0.102 1
1 55 . 14 1 1 A 6 6 LYS HA H 5 4.500 4.397 0.103 1
1 64 . 14 1 1 A 6 6 LYS C C 5 177.243 176.031 1.212 1
1 65 . 14 1 1 A 6 6 LYS CA C 5 55.943 56.507 -0.564 1
1 66 . 14 1 1 A 6 6 LYS CB C 5 34.621 33.544 1.077 1
1 70 . 14 1 1 A 6 6 LYS N N 5 121.467 122.293 -0.826 1
1 71 . 14 1 1 A 7 7 THR H H 6 8.431 8.299 0.132 1
1 72 . 14 1 1 A 7 7 THR HA H 6 4.383 5.033 -0.650 1
1 77 . 14 1 1 A 7 7 THR C C 6 175.360 175.531 -0.171 1
1 78 . 14 1 1 A 7 7 THR CA C 6 61.124 59.107 2.017 1
1 79 . 14 1 1 A 7 7 THR CB C 6 69.863 71.665 -1.802 1
1 81 . 14 1 1 A 7 7 THR N N 6 114.691 111.263 3.428 1
1 82 . 14 1 1 A 8 8 PHE H H 7 10.194 9.616 0.578 1
1 83 . 14 1 1 A 8 8 PHE HA H 7 3.904 4.160 -0.256 1
1 88 . 14 1 1 A 8 8 PHE C C 7 177.000 177.260 -0.260 1
1 89 . 14 1 1 A 8 8 PHE CA C 7 63.388 62.041 1.347 1
1 90 . 14 1 1 A 8 8 PHE CB C 7 39.586 39.443 0.143 1
1 92 . 14 1 1 A 8 8 PHE N N 7 124.861 123.039 1.822 1
1 93 . 14 1 1 A 9 9 LYS H H 8 8.707 8.307 0.400 1
1 94 . 14 1 1 A 9 9 LYS HA H 8 3.761 3.997 -0.236 1
1 103 . 14 1 1 A 9 9 LYS C C 8 177.496 178.878 -1.382 1
1 104 . 14 1 1 A 9 9 LYS CA C 8 59.945 59.197 0.748 1
1 105 . 14 1 1 A 9 9 LYS CB C 8 33.870 31.879 1.991 1
1 109 . 14 1 1 A 9 9 LYS N N 8 114.189 117.742 -3.553 1
1 110 . 14 1 1 A 10 10 GLN H H 9 7.284 8.060 -0.776 1
1 111 . 14 1 1 A 10 10 GLN HA H 9 4.113 4.112 0.001 1
1 118 . 14 1 1 A 10 10 GLN C C 9 177.416 178.124 -0.708 1
1 119 . 14 1 1 A 10 10 GLN CA C 9 56.743 58.217 -1.474 1
1 120 . 14 1 1 A 10 10 GLN CB C 9 30.002 29.050 0.952 1
1 123 . 14 1 1 A 10 10 GLN N N 9 112.843 119.010 -6.167 1
1 125 . 14 1 1 A 11 11 ARG H H 10 7.889 8.417 -0.528 1
1 126 . 14 1 1 A 11 11 ARG HA H 10 4.255 3.954 0.301 1
1 133 . 14 1 1 A 11 11 ARG C C 10 175.059 176.742 -1.683 1
1 134 . 14 1 1 A 11 11 ARG CA C 10 57.018 59.532 -2.514 1
1 135 . 14 1 1 A 11 11 ARG CB C 10 31.628 30.350 1.278 1
1 138 . 14 1 1 A 11 11 ARG N N 10 117.567 120.796 -3.229 1
1 139 . 14 1 1 A 12 12 ARG H H 11 7.443 7.701 -0.258 1
1 140 . 14 1 1 A 12 12 ARG HA H 11 4.493 4.177 0.316 1
1 147 . 14 1 1 A 12 12 ARG CA C 11 54.172 56.653 -2.481 1
1 148 . 14 1 1 A 12 12 ARG CB C 11 32.857 30.418 2.439 1
1 151 . 14 1 1 A 12 12 ARG N N 11 122.786 120.379 2.407 1
1 152 . 14 1 1 A 13 13 SER HA H 12 4.403 4.496 -0.093 1
1 155 . 14 1 1 A 13 13 SER C C 12 174.222 175.243 -1.021 1
1 156 . 14 1 1 A 13 13 SER CA C 12 58.274 60.373 -2.099 1
1 157 . 14 1 1 A 13 13 SER CB C 12 64.821 63.648 1.173 1
1 158 . 14 1 1 A 14 14 PHE H H 13 9.239 9.280 -0.041 1
1 159 . 14 1 1 A 14 14 PHE HA H 13 4.035 4.176 -0.141 1
1 165 . 14 1 1 A 14 14 PHE C C 13 176.023 177.200 -1.177 1
1 166 . 14 1 1 A 14 14 PHE CA C 13 62.790 62.455 0.335 1
1 167 . 14 1 1 A 14 14 PHE CB C 13 39.580 39.903 -0.323 1
1 169 . 14 1 1 A 14 14 PHE N N 13 123.729 126.423 -2.694 1
1 170 . 14 1 1 A 15 15 GLU H H 14 9.093 8.493 0.600 1
1 171 . 14 1 1 A 15 15 GLU HA H 14 3.813 3.937 -0.124 1
1 176 . 14 1 1 A 15 15 GLU C C 14 179.549 179.434 0.115 1
1 177 . 14 1 1 A 15 15 GLU CA C 14 60.444 60.188 0.256 1
1 178 . 14 1 1 A 15 15 GLU CB C 14 28.804 29.156 -0.352 1
1 180 . 14 1 1 A 15 15 GLU N N 14 115.336 117.552 -2.216 1
1 181 . 14 1 1 A 16 16 GLN H H 15 7.752 8.001 -0.249 1
1 182 . 14 1 1 A 16 16 GLN HA H 15 4.044 4.124 -0.080 1
1 189 . 14 1 1 A 16 16 GLN C C 15 177.931 178.640 -0.709 1
1 190 . 14 1 1 A 16 16 GLN CA C 15 58.486 59.036 -0.550 1
1 191 . 14 1 1 A 16 16 GLN CB C 15 29.393 28.737 0.656 1
1 194 . 14 1 1 A 16 16 GLN N N 15 119.145 120.362 -1.217 1
1 196 . 14 1 1 A 17 17 ARG H H 16 8.577 8.033 0.544 1
1 197 . 14 1 1 A 17 17 ARG HA H 16 4.280 4.298 -0.018 1
1 202 . 14 1 1 A 17 17 ARG C C 16 177.128 179.180 -2.052 1
1 203 . 14 1 1 A 17 17 ARG CA C 16 61.442 59.564 1.878 1
1 204 . 14 1 1 A 17 17 ARG N N 16 121.288 119.947 1.341 1
1 205 . 14 1 1 A 18 18 VAL H H 17 8.329 8.235 0.094 1
1 206 . 14 1 1 A 18 18 VAL HA H 17 3.938 3.795 0.143 1
1 214 . 14 1 1 A 18 18 VAL C C 17 179.744 177.615 2.129 1
1 215 . 14 1 1 A 18 18 VAL CA C 17 65.441 64.950 0.491 1
1 216 . 14 1 1 A 18 18 VAL CB C 17 32.080 30.881 1.199 1
1 219 . 14 1 1 A 18 18 VAL N N 17 116.752 119.782 -3.030 1
1 220 . 14 1 1 A 19 19 GLU H H 18 7.445 8.414 -0.969 1
1 221 . 14 1 1 A 19 19 GLU HA H 18 4.270 3.988 0.282 1
1 226 . 14 1 1 A 19 19 GLU C C 18 177.625 178.050 -0.425 1
1 227 . 14 1 1 A 19 19 GLU CA C 18 58.637 59.830 -1.193 1
1 228 . 14 1 1 A 19 19 GLU CB C 18 29.398 29.110 0.288 1
1 230 . 14 1 1 A 19 19 GLU N N 18 120.323 121.037 -0.714 1
1 231 . 14 1 1 A 20 20 ASP H H 19 8.690 8.213 0.477 1
1 232 . 14 1 1 A 20 20 ASP HA H 19 4.514 4.342 0.172 1
1 235 . 14 1 1 A 20 20 ASP C C 19 179.877 178.474 1.403 1
1 236 . 14 1 1 A 20 20 ASP CA C 19 57.224 57.618 -0.394 1
1 237 . 14 1 1 A 20 20 ASP CB C 19 41.487 41.780 -0.293 1
1 238 . 14 1 1 A 20 20 ASP N N 19 120.313 119.902 0.411 1
1 239 . 14 1 1 A 21 21 VAL H H 20 7.731 7.991 -0.260 1
1 240 . 14 1 1 A 21 21 VAL HA H 20 3.394 3.319 0.075 1
1 248 . 14 1 1 A 21 21 VAL C C 20 176.989 178.059 -1.070 1
1 249 . 14 1 1 A 21 21 VAL CA C 20 65.989 66.127 -0.138 1
1 250 . 14 1 1 A 21 21 VAL CB C 20 31.291 31.202 0.089 1
1 253 . 14 1 1 A 21 21 VAL N N 20 119.119 119.284 -0.165 1
1 254 . 14 1 1 A 22 22 ARG H H 21 8.313 8.254 0.059 1
1 255 . 14 1 1 A 22 22 ARG HA H 21 3.825 4.019 -0.194 1
1 263 . 14 1 1 A 22 22 ARG C C 21 180.178 178.739 1.439 1
1 264 . 14 1 1 A 22 22 ARG CA C 21 59.821 59.613 0.208 1
1 265 . 14 1 1 A 22 22 ARG CB C 21 30.164 29.857 0.307 1
1 269 . 14 1 1 A 22 22 ARG N N 21 120.772 120.369 0.403 1
1 271 . 14 1 1 A 23 23 LEU H H 22 8.306 8.254 0.052 1
1 272 . 14 1 1 A 23 23 LEU HA H 22 4.076 4.017 0.059 1
1 282 . 14 1 1 A 23 23 LEU C C 22 180.221 179.638 0.583 1
1 283 . 14 1 1 A 23 23 LEU CA C 22 57.541 57.907 -0.366 1
1 284 . 14 1 1 A 23 23 LEU CB C 22 42.300 41.904 0.396 1
1 288 . 14 1 1 A 23 23 LEU N N 22 116.413 119.161 -2.748 1
1 289 . 14 1 1 A 24 24 ILE H H 23 7.864 8.055 -0.191 1
1 290 . 14 1 1 A 24 24 ILE HA H 23 4.090 3.808 0.282 1
1 300 . 14 1 1 A 24 24 ILE C C 23 177.922 178.444 -0.522 1
1 301 . 14 1 1 A 24 24 ILE CA C 23 60.190 64.518 -4.328 1
1 302 . 14 1 1 A 24 24 ILE CB C 23 38.072 37.267 0.805 1
1 306 . 14 1 1 A 24 24 ILE N N 23 121.259 119.178 2.081 1
1 307 . 14 1 1 A 25 25 ARG H H 24 8.339 8.390 -0.051 1
1 308 . 14 1 1 A 25 25 ARG HA H 24 3.973 4.016 -0.043 1
1 316 . 14 1 1 A 25 25 ARG C C 24 178.479 178.186 0.293 1
1 317 . 14 1 1 A 25 25 ARG CA C 24 57.337 59.344 -2.007 1
1 318 . 14 1 1 A 25 25 ARG CB C 24 28.663 30.020 -1.357 1
1 322 . 14 1 1 A 25 25 ARG N N 24 121.816 121.952 -0.136 1
1 324 . 14 1 1 A 26 26 GLU H H 25 7.133 8.231 -1.098 1
1 325 . 14 1 1 A 26 26 GLU HA H 25 4.052 4.264 -0.212 1
1 330 . 14 1 1 A 26 26 GLU C C 25 178.158 176.802 1.356 1
1 331 . 14 1 1 A 26 26 GLU CA C 25 58.367 57.275 1.092 1
1 332 . 14 1 1 A 26 26 GLU CB C 25 29.903 30.099 -0.196 1
1 334 . 14 1 1 A 26 26 GLU N N 25 116.794 117.012 -0.218 1
1 335 . 14 1 1 A 27 27 GLN H H 26 7.283 7.917 -0.634 1
1 336 . 14 1 1 A 27 27 GLN HA H 26 3.888 4.353 -0.465 1
1 343 . 14 1 1 A 27 27 GLN C C 26 176.088 175.850 0.238 1
1 344 . 14 1 1 A 27 27 GLN CA C 26 57.676 57.116 0.560 1
1 345 . 14 1 1 A 27 27 GLN CB C 26 30.382 30.341 0.041 1
1 348 . 14 1 1 A 27 27 GLN N N 26 116.373 117.779 -1.406 1
1 350 . 14 1 1 A 28 28 HIS H H 27 8.223 8.621 -0.398 1
1 351 . 14 1 1 A 28 28 HIS HA H 27 4.941 5.047 -0.106 1
1 356 . 14 1 1 A 28 28 HIS CA C 27 53.278 53.151 0.127 1
1 357 . 14 1 1 A 28 28 HIS CB C 27 30.933 29.836 1.097 1
1 360 . 14 1 1 A 28 28 HIS N N 27 115.408 116.162 -0.754 1
1 361 . 14 1 1 A 29 29 PRO HA H 28 4.562 4.335 0.227 1
1 368 . 14 1 1 A 29 29 PRO C C 28 178.046 177.652 0.394 1
1 369 . 14 1 1 A 29 29 PRO CA C 28 64.821 64.605 0.216 1
1 370 . 14 1 1 A 29 29 PRO CB C 28 32.447 32.093 0.354 1
1 373 . 14 1 1 A 30 30 THR H H 29 7.820 7.737 0.083 1
1 374 . 14 1 1 A 30 30 THR HA H 29 4.583 4.349 0.234 1
1 379 . 14 1 1 A 30 30 THR C C 29 172.723 173.313 -0.590 1
1 380 . 14 1 1 A 30 30 THR CA C 29 60.826 61.484 -0.658 1
1 381 . 14 1 1 A 30 30 THR CB C 29 68.641 68.778 -0.137 1
1 383 . 14 1 1 A 30 30 THR N N 29 106.682 107.681 -0.999 1
1 384 . 14 1 1 A 31 31 LYS H H 30 7.453 7.548 -0.095 1
1 385 . 14 1 1 A 31 31 LYS HA H 30 4.850 4.898 -0.048 1
1 394 . 14 1 1 A 31 31 LYS C C 30 174.296 174.840 -0.544 1
1 395 . 14 1 1 A 31 31 LYS CA C 30 53.944 54.682 -0.738 1
1 396 . 14 1 1 A 31 31 LYS CB C 30 36.098 36.573 -0.475 1
1 400 . 14 1 1 A 31 31 LYS N N 30 117.809 120.491 -2.682 1
1 401 . 14 1 1 A 32 32 ILE H H 31 9.265 9.406 -0.141 1
1 402 . 14 1 1 A 32 32 ILE HA H 31 4.106 4.176 -0.070 1
1 412 . 14 1 1 A 32 32 ILE CA C 31 54.606 57.549 -2.943 1
1 413 . 14 1 1 A 32 32 ILE CB C 31 38.448 38.306 0.142 1
1 417 . 14 1 1 A 32 32 ILE N N 31 122.497 123.281 -0.784 1
1 418 . 14 1 1 A 33 33 PRO HA H 32 5.252 4.839 0.413 1
1 425 . 14 1 1 A 33 33 PRO C C 32 174.652 176.763 -2.111 1
1 426 . 14 1 1 A 33 33 PRO CA C 32 61.704 62.540 -0.836 1
1 427 . 14 1 1 A 33 33 PRO CB C 32 31.873 31.636 0.237 1
1 430 . 14 1 1 A 34 34 VAL H H 33 9.359 8.152 1.207 1
1 431 . 14 1 1 A 34 34 VAL HA H 33 5.298 5.253 0.045 1
1 439 . 14 1 1 A 34 34 VAL C C 33 173.633 174.721 -1.088 1
1 440 . 14 1 1 A 34 34 VAL CA C 33 59.830 59.357 0.473 1
1 441 . 14 1 1 A 34 34 VAL CB C 33 36.154 36.282 -0.128 1
1 444 . 14 1 1 A 34 34 VAL N N 33 124.496 116.624 7.872 1
1 445 . 14 1 1 A 35 35 ILE H H 34 8.667 9.151 -0.484 1
1 446 . 14 1 1 A 35 35 ILE HA H 34 4.867 4.693 0.174 1
1 456 . 14 1 1 A 35 35 ILE C C 34 175.770 174.816 0.954 1
1 457 . 14 1 1 A 35 35 ILE CA C 34 56.320 60.431 -4.111 1
1 458 . 14 1 1 A 35 35 ILE CB C 34 36.909 39.482 -2.573 1
1 462 . 14 1 1 A 35 35 ILE N N 34 127.447 121.738 5.709 1
1 463 . 14 1 1 A 36 36 ILE H H 35 8.422 8.792 -0.370 1
1 464 . 14 1 1 A 36 36 ILE HA H 35 4.890 5.340 -0.450 1
1 474 . 14 1 1 A 36 36 ILE C C 35 175.098 175.790 -0.692 1
1 475 . 14 1 1 A 36 36 ILE CA C 35 60.806 60.456 0.350 1
1 476 . 14 1 1 A 36 36 ILE CB C 35 39.357 38.775 0.582 1
1 480 . 14 1 1 A 36 36 ILE N N 35 124.267 128.797 -4.530 1
1 481 . 14 1 1 A 37 37 GLU H H 36 8.335 8.768 -0.433 1
1 482 . 14 1 1 A 37 37 GLU HA H 36 4.820 5.019 -0.199 1
1 487 . 14 1 1 A 37 37 GLU C C 36 173.502 175.827 -2.325 1
1 488 . 14 1 1 A 37 37 GLU CA C 36 54.214 54.200 0.014 1
1 489 . 14 1 1 A 37 37 GLU CB C 36 35.547 33.789 1.758 1
1 491 . 14 1 1 A 37 37 GLU N N 36 123.296 126.049 -2.753 1
1 492 . 14 1 1 A 38 38 ARG H H 37 8.891 8.254 0.637 1
1 493 . 14 1 1 A 38 38 ARG HA H 37 2.755 3.684 -0.929 1
1 501 . 14 1 1 A 38 38 ARG C C 37 176.165 175.438 0.727 1
1 502 . 14 1 1 A 38 38 ARG CA C 37 56.235 56.074 0.161 1
1 503 . 14 1 1 A 38 38 ARG CB C 37 31.328 30.332 0.996 1
1 507 . 14 1 1 A 38 38 ARG N N 37 123.143 121.959 1.184 1
1 509 . 14 1 1 A 39 39 TYR H H 38 8.681 7.846 0.835 1
1 510 . 14 1 1 A 39 39 TYR HA H 38 4.331 4.369 -0.038 1
1 517 . 14 1 1 A 39 39 TYR C C 38 177.064 175.193 1.871 1
1 518 . 14 1 1 A 39 39 TYR CA C 38 57.769 59.053 -1.284 1
1 519 . 14 1 1 A 39 39 TYR CB C 38 39.552 38.843 0.709 1
1 522 . 14 1 1 A 39 39 TYR N N 38 128.699 123.146 5.553 1
1 523 . 14 1 1 A 40 40 LYS H H 39 8.454 7.897 0.557 1
1 524 . 14 1 1 A 40 40 LYS HA H 39 3.841 3.921 -0.080 1
1 533 . 14 1 1 A 40 40 LYS C C 39 176.290 176.679 -0.389 1
1 534 . 14 1 1 A 40 40 LYS CA C 39 58.772 56.651 2.121 1
1 535 . 14 1 1 A 40 40 LYS CB C 39 31.738 31.432 0.306 1
1 539 . 14 1 1 A 40 40 LYS N N 39 130.022 123.549 6.473 1
1 540 . 14 1 1 A 41 41 GLY H H 40 5.457 8.965 -3.508 1
1 541 . 14 1 1 A 41 41 GLY HA2 H 40 3.306 3.974 -0.668 1
1 542 . 14 1 1 A 41 41 GLY HA3 H 40 3.999 4.032 -0.033 1
1 543 . 14 1 1 A 41 41 GLY C C 40 173.426 174.005 -0.579 1
1 544 . 14 1 1 A 41 41 GLY CA C 40 44.673 45.469 -0.796 1
1 545 . 14 1 1 A 41 41 GLY N N 40 104.628 113.341 -8.713 1
1 546 . 14 1 1 A 42 42 GLU H H 41 7.440 8.147 -0.707 1
1 547 . 14 1 1 A 42 42 GLU HA H 41 4.278 4.637 -0.359 1
1 552 . 14 1 1 A 42 42 GLU C C 41 176.306 176.543 -0.237 1
1 553 . 14 1 1 A 42 42 GLU CA C 41 56.358 55.145 1.213 1
1 554 . 14 1 1 A 42 42 GLU CB C 41 31.014 30.626 0.388 1
1 556 . 14 1 1 A 42 42 GLU N N 41 122.648 120.553 2.095 1
1 557 . 14 1 1 A 43 43 LYS H H 42 8.912 8.449 0.463 1
1 558 . 14 1 1 A 43 43 LYS HA H 42 4.680 4.615 0.065 1
1 567 . 14 1 1 A 43 43 LYS C C 42 177.063 178.385 -1.322 1
1 568 . 14 1 1 A 43 43 LYS CA C 42 55.652 56.919 -1.267 1
1 569 . 14 1 1 A 43 43 LYS CB C 42 34.871 33.879 0.992 1
1 573 . 14 1 1 A 43 43 LYS N N 42 123.569 122.949 0.620 1
1 574 . 14 1 1 A 44 44 GLN H H 43 8.446 8.099 0.347 1
1 575 . 14 1 1 A 44 44 GLN HA H 43 4.545 4.007 0.538 1
1 582 . 14 1 1 A 44 44 GLN C C 43 177.152 176.977 0.175 1
1 583 . 14 1 1 A 44 44 GLN CA C 43 57.561 58.773 -1.212 1
1 584 . 14 1 1 A 44 44 GLN CB C 43 30.671 28.606 2.065 1
1 587 . 14 1 1 A 44 44 GLN N N 43 118.990 118.217 0.773 1
1 589 . 14 1 1 A 45 45 LEU H H 44 9.043 8.119 0.924 1
1 590 . 14 1 1 A 45 45 LEU HA H 44 4.716 4.510 0.206 1
1 600 . 14 1 1 A 45 45 LEU CA C 44 53.078 53.918 -0.840 1
1 601 . 14 1 1 A 45 45 LEU CB C 44 43.614 41.183 2.431 1
1 605 . 14 1 1 A 45 45 LEU N N 44 120.375 120.280 0.095 1
1 606 . 14 1 1 A 46 46 PRO HA H 45 4.723 4.664 0.059 1
1 613 . 14 1 1 A 46 46 PRO C C 45 175.883 176.008 -0.125 1
1 614 . 14 1 1 A 46 46 PRO CA C 45 62.005 62.299 -0.294 1
1 615 . 14 1 1 A 46 46 PRO CB C 45 32.609 32.365 0.244 1
1 618 . 14 1 1 A 47 47 VAL H H 46 8.437 8.566 -0.129 1
1 619 . 14 1 1 A 47 47 VAL HA H 46 3.914 4.707 -0.793 1
1 627 . 14 1 1 A 47 47 VAL C C 46 175.367 175.854 -0.487 1
1 628 . 14 1 1 A 47 47 VAL CA C 46 62.700 61.795 0.905 1
1 629 . 14 1 1 A 47 47 VAL CB C 46 32.927 32.128 0.799 1
1 632 . 14 1 1 A 47 47 VAL N N 46 118.440 121.336 -2.896 1
1 633 . 14 1 1 A 48 48 LEU H H 47 7.863 8.369 -0.506 1
1 634 . 14 1 1 A 48 48 LEU HA H 47 4.384 4.164 0.220 1
1 644 . 14 1 1 A 48 48 LEU C C 47 176.088 178.091 -2.003 1
1 645 . 14 1 1 A 48 48 LEU CA C 47 54.851 56.070 -1.219 1
1 646 . 14 1 1 A 48 48 LEU CB C 47 43.841 44.229 -0.388 1
1 650 . 14 1 1 A 48 48 LEU N N 47 129.127 129.300 -0.173 1
1 651 . 14 1 1 A 49 49 ASP H H 48 8.699 8.639 0.060 1
1 652 . 14 1 1 A 49 49 ASP HA H 48 4.293 4.336 -0.043 1
1 655 . 14 1 1 A 49 49 ASP C C 48 175.121 176.564 -1.443 1
1 656 . 14 1 1 A 49 49 ASP CA C 48 55.717 57.828 -2.111 1
1 657 . 14 1 1 A 49 49 ASP CB C 48 40.260 40.915 -0.655 1
1 658 . 14 1 1 A 49 49 ASP N N 48 121.389 124.423 -3.034 1
1 659 . 14 1 1 A 50 50 LYS H H 49 7.251 7.743 -0.492 1
1 660 . 14 1 1 A 50 50 LYS HA H 49 4.540 4.824 -0.284 1
1 669 . 14 1 1 A 50 50 LYS C C 49 174.664 175.916 -1.252 1
1 670 . 14 1 1 A 50 50 LYS CA C 49 53.211 54.223 -1.012 1
1 671 . 14 1 1 A 50 50 LYS CB C 49 35.514 35.569 -0.055 1
1 675 . 14 1 1 A 50 50 LYS N N 49 118.260 116.443 1.817 1
1 676 . 14 1 1 A 51 51 THR H H 50 8.162 8.072 0.090 1
1 677 . 14 1 1 A 51 51 THR HA H 50 4.685 4.606 0.079 1
1 682 . 14 1 1 A 51 51 THR C C 50 171.631 174.303 -2.672 1
1 683 . 14 1 1 A 51 51 THR CA C 50 63.581 62.842 0.739 1
1 684 . 14 1 1 A 51 51 THR CB C 50 71.587 70.175 1.412 1
1 686 . 14 1 1 A 51 51 THR N N 50 112.535 113.393 -0.858 1
1 687 . 14 1 1 A 52 52 LYS H H 51 6.971 7.395 -0.424 1
1 688 . 14 1 1 A 52 52 LYS HA H 51 4.443 4.615 -0.172 1
1 697 . 14 1 1 A 52 52 LYS C C 51 175.417 175.404 0.013 1
1 698 . 14 1 1 A 52 52 LYS CA C 51 55.209 55.185 0.024 1
1 699 . 14 1 1 A 52 52 LYS CB C 51 33.309 33.768 -0.459 1
1 703 . 14 1 1 A 52 52 LYS N N 51 120.227 118.859 1.368 1
1 704 . 14 1 1 A 53 53 PHE H H 52 9.688 8.826 0.862 1
1 705 . 14 1 1 A 53 53 PHE HA H 52 5.675 4.955 0.720 1
1 712 . 14 1 1 A 53 53 PHE C C 52 174.348 174.769 -0.421 1
1 713 . 14 1 1 A 53 53 PHE CA C 52 56.625 56.752 -0.127 1
1 714 . 14 1 1 A 53 53 PHE CB C 52 43.109 42.395 0.714 1
1 716 . 14 1 1 A 53 53 PHE N N 52 124.646 122.120 2.526 1
1 717 . 14 1 1 A 54 54 LEU H H 53 8.470 8.988 -0.518 1
1 718 . 14 1 1 A 54 54 LEU HA H 53 5.044 4.943 0.101 1
1 728 . 14 1 1 A 54 54 LEU C C 53 176.144 175.948 0.196 1
1 729 . 14 1 1 A 54 54 LEU CA C 53 52.954 53.520 -0.566 1
1 730 . 14 1 1 A 54 54 LEU CB C 53 45.081 41.956 3.125 1
1 734 . 14 1 1 A 54 54 LEU N N 53 119.430 124.678 -5.248 1
1 735 . 14 1 1 A 55 55 VAL H H 54 8.802 8.546 0.256 1
1 736 . 14 1 1 A 55 55 VAL HA H 54 4.640 4.555 0.085 1
1 744 . 14 1 1 A 55 55 VAL CA C 54 58.549 59.885 -1.336 1
1 745 . 14 1 1 A 55 55 VAL CB C 54 35.342 31.750 3.592 1
1 748 . 14 1 1 A 55 55 VAL N N 54 123.841 125.841 -2.000 1
1 749 . 14 1 1 A 56 56 PRO HA H 55 4.439 4.679 -0.240 1
1 756 . 14 1 1 A 56 56 PRO C C 55 176.666 176.432 0.234 1
1 757 . 14 1 1 A 56 56 PRO CA C 55 64.256 62.555 1.701 1
1 758 . 14 1 1 A 56 56 PRO CB C 55 32.783 32.218 0.565 1
1 761 . 14 1 1 A 57 57 ASP H H 56 8.412 7.866 0.546 1
1 762 . 14 1 1 A 57 57 ASP HA H 56 3.848 4.626 -0.778 1
1 765 . 14 1 1 A 57 57 ASP C C 56 175.417 176.748 -1.331 1
1 766 . 14 1 1 A 57 57 ASP CA C 56 56.616 53.799 2.817 1
1 767 . 14 1 1 A 57 57 ASP CB C 56 40.410 40.364 0.046 1
1 768 . 14 1 1 A 57 57 ASP N N 56 120.415 122.131 -1.716 1
1 769 . 14 1 1 A 58 58 HIS H H 57 7.373 8.069 -0.696 1
1 770 . 14 1 1 A 58 58 HIS HA H 57 4.770 4.906 -0.136 1
1 775 . 14 1 1 A 58 58 HIS C C 57 176.594 174.090 2.504 1
1 776 . 14 1 1 A 58 58 HIS CA C 57 55.584 55.125 0.459 1
1 777 . 14 1 1 A 58 58 HIS CB C 57 30.628 31.563 -0.935 1
1 780 . 14 1 1 A 58 58 HIS N N 57 113.439 114.775 -1.336 1
1 781 . 14 1 1 A 59 59 VAL H H 58 7.249 7.604 -0.355 1
1 782 . 14 1 1 A 59 59 VAL HA H 58 3.903 4.738 -0.835 1
1 790 . 14 1 1 A 59 59 VAL C C 58 175.014 174.785 0.229 1
1 791 . 14 1 1 A 59 59 VAL CA C 58 62.726 58.943 3.783 1
1 792 . 14 1 1 A 59 59 VAL CB C 58 32.190 36.235 -4.045 1
1 795 . 14 1 1 A 59 59 VAL N N 58 122.597 115.538 7.059 1
1 796 . 14 1 1 A 60 60 ASN H H 59 8.677 8.668 0.009 1
1 797 . 14 1 1 A 60 60 ASN HA H 59 5.187 5.130 0.057 1
1 802 . 14 1 1 A 60 60 ASN C C 59 176.477 176.643 -0.166 1
1 803 . 14 1 1 A 60 60 ASN CA C 59 51.181 51.641 -0.460 1
1 804 . 14 1 1 A 60 60 ASN CB C 59 39.947 40.858 -0.911 1
1 806 . 14 1 1 A 60 60 ASN N N 59 122.962 118.958 4.004 1
1 808 . 14 1 1 A 61 61 MET H H 60 8.038 8.436 -0.398 1
1 809 . 14 1 1 A 61 61 MET HA H 60 4.426 4.325 0.101 1
1 817 . 14 1 1 A 61 61 MET C C 60 177.996 178.736 -0.740 1
1 818 . 14 1 1 A 61 61 MET CA C 60 57.118 57.945 -0.827 1
1 819 . 14 1 1 A 61 61 MET CB C 60 29.998 32.496 -2.498 1
1 822 . 14 1 1 A 61 61 MET N N 60 116.814 121.211 -4.397 1
1 823 . 14 1 1 A 62 62 SER H H 61 8.401 8.168 0.233 1
1 824 . 14 1 1 A 62 62 SER HA H 61 4.132 4.175 -0.043 1
1 827 . 14 1 1 A 62 62 SER C C 61 177.255 177.368 -0.113 1
1 828 . 14 1 1 A 62 62 SER CA C 61 61.559 61.475 0.084 1
1 829 . 14 1 1 A 62 62 SER CB C 61 62.430 62.803 -0.373 1
1 830 . 14 1 1 A 62 62 SER N N 61 114.109 115.375 -1.266 1
1 831 . 14 1 1 A 63 63 GLU H H 62 8.014 7.935 0.079 1
1 832 . 14 1 1 A 63 63 GLU HA H 62 4.016 4.010 0.006 1
1 837 . 14 1 1 A 63 63 GLU C C 62 178.327 179.446 -1.119 1
1 838 . 14 1 1 A 63 63 GLU CA C 62 58.787 59.190 -0.403 1
1 839 . 14 1 1 A 63 63 GLU CB C 62 29.814 29.213 0.601 1
1 841 . 14 1 1 A 63 63 GLU N N 62 122.806 122.500 0.306 1
1 842 . 14 1 1 A 64 64 LEU H H 63 8.254 7.841 0.413 1
1 843 . 14 1 1 A 64 64 LEU HA H 63 3.932 4.063 -0.131 1
1 853 . 14 1 1 A 64 64 LEU C C 63 178.029 178.900 -0.871 1
1 854 . 14 1 1 A 64 64 LEU CA C 63 57.986 57.754 0.232 1
1 855 . 14 1 1 A 64 64 LEU CB C 63 41.377 41.463 -0.086 1
1 859 . 14 1 1 A 64 64 LEU N N 63 120.526 121.316 -0.790 1
1 860 . 14 1 1 A 65 65 ILE H H 64 8.415 8.333 0.082 1
1 861 . 14 1 1 A 65 65 ILE HA H 64 3.377 3.936 -0.559 1
1 871 . 14 1 1 A 65 65 ILE C C 64 177.078 178.652 -1.574 1
1 872 . 14 1 1 A 65 65 ILE CA C 64 66.699 63.745 2.954 1
1 873 . 14 1 1 A 65 65 ILE CB C 64 38.128 37.939 0.189 1
1 877 . 14 1 1 A 65 65 ILE N N 64 118.349 119.011 -0.662 1
1 878 . 14 1 1 A 66 66 LYS H H 65 7.366 7.725 -0.359 1
1 879 . 14 1 1 A 66 66 LYS HA H 65 3.696 3.988 -0.292 1
1 888 . 14 1 1 A 66 66 LYS C C 65 179.260 178.576 0.684 1
1 889 . 14 1 1 A 66 66 LYS CA C 65 60.593 58.472 2.121 1
1 890 . 14 1 1 A 66 66 LYS CB C 65 32.421 31.861 0.560 1
1 894 . 14 1 1 A 66 66 LYS N N 65 118.334 118.963 -0.629 1
1 895 . 14 1 1 A 67 67 ILE H H 66 8.179 7.076 1.103 1
1 896 . 14 1 1 A 67 67 ILE HA H 66 3.546 3.859 -0.313 1
1 906 . 14 1 1 A 67 67 ILE C C 66 178.784 177.730 1.054 1
1 907 . 14 1 1 A 67 67 ILE CA C 66 65.488 64.129 1.359 1
1 908 . 14 1 1 A 67 67 ILE CB C 66 38.593 37.609 0.984 1
1 912 . 14 1 1 A 67 67 ILE N N 66 119.791 118.956 0.835 1
1 913 . 14 1 1 A 68 68 ILE H H 67 8.279 8.424 -0.145 1
1 914 . 14 1 1 A 68 68 ILE HA H 67 3.391 3.295 0.096 1
1 924 . 14 1 1 A 68 68 ILE C C 67 177.403 177.908 -0.505 1
1 925 . 14 1 1 A 68 68 ILE CA C 67 63.144 65.436 -2.292 1
1 926 . 14 1 1 A 68 68 ILE CB C 67 35.269 37.403 -2.134 1
1 930 . 14 1 1 A 68 68 ILE N N 67 120.267 120.188 0.079 1
1 931 . 14 1 1 A 69 69 ARG H H 68 8.454 8.027 0.427 1
1 932 . 14 1 1 A 69 69 ARG HA H 68 2.966 3.423 -0.457 1
1 939 . 14 1 1 A 69 69 ARG C C 68 178.385 178.275 0.110 1
1 940 . 14 1 1 A 69 69 ARG CA C 68 60.642 58.471 2.171 1
1 941 . 14 1 1 A 69 69 ARG CB C 68 30.442 29.697 0.745 1
1 944 . 14 1 1 A 69 69 ARG N N 68 118.881 120.147 -1.266 1
1 945 . 14 1 1 A 70 70 ARG H H 69 7.492 7.970 -0.478 1
1 946 . 14 1 1 A 70 70 ARG HA H 69 4.164 3.951 0.213 1
1 954 . 14 1 1 A 70 70 ARG C C 69 180.253 178.999 1.254 1
1 955 . 14 1 1 A 70 70 ARG CA C 69 58.510 59.413 -0.903 1
1 956 . 14 1 1 A 70 70 ARG CB C 69 29.587 29.872 -0.285 1
1 960 . 14 1 1 A 70 70 ARG N N 69 116.411 119.230 -2.819 1
1 962 . 14 1 1 A 71 71 ARG H H 70 8.086 7.723 0.363 1
1 963 . 14 1 1 A 71 71 ARG HA H 70 4.025 4.083 -0.058 1
1 970 . 14 1 1 A 71 71 ARG C C 70 178.558 178.570 -0.012 1
1 971 . 14 1 1 A 71 71 ARG CA C 70 59.428 59.066 0.362 1
1 972 . 14 1 1 A 71 71 ARG CB C 70 30.235 30.487 -0.252 1
1 975 . 14 1 1 A 71 71 ARG N N 70 122.779 119.184 3.595 1
1 976 . 14 1 1 A 72 72 LEU H H 71 7.755 7.449 0.306 1
1 977 . 14 1 1 A 72 72 LEU HA H 71 4.081 4.150 -0.069 1
1 987 . 14 1 1 A 72 72 LEU C C 71 174.852 176.492 -1.640 1
1 988 . 14 1 1 A 72 72 LEU CA C 71 55.060 55.342 -0.282 1
1 989 . 14 1 1 A 72 72 LEU CB C 71 43.109 41.918 1.191 1
1 993 . 14 1 1 A 72 72 LEU N N 71 116.551 118.603 -2.052 1
1 994 . 14 1 1 A 73 73 GLN H H 72 7.740 7.567 0.173 1
1 995 . 14 1 1 A 73 73 GLN HA H 72 3.853 3.950 -0.097 1
1 1002 . 14 1 1 A 73 73 GLN C C 72 175.619 175.056 0.563 1
1 1003 . 14 1 1 A 73 73 GLN CA C 72 56.273 56.613 -0.340 1
1 1004 . 14 1 1 A 73 73 GLN CB C 72 25.939 26.315 -0.376 1
1 1007 . 14 1 1 A 73 73 GLN N N 72 114.737 117.847 -3.110 1
1 1009 . 14 1 1 A 74 74 LEU H H 73 7.525 7.410 0.115 1
1 1010 . 14 1 1 A 74 74 LEU HA H 73 4.242 4.359 -0.117 1
1 1020 . 14 1 1 A 74 74 LEU C C 73 178.611 175.968 2.643 1
1 1021 . 14 1 1 A 74 74 LEU CA C 73 54.382 54.832 -0.450 1
1 1022 . 14 1 1 A 74 74 LEU CB C 73 41.995 42.344 -0.349 1
1 1026 . 14 1 1 A 74 74 LEU N N 73 114.861 121.054 -6.193 1
1 1027 . 14 1 1 A 75 75 ASN H H 74 8.970 8.464 0.506 1
1 1028 . 14 1 1 A 75 75 ASN HA H 74 4.694 5.083 -0.389 1
1 1033 . 14 1 1 A 75 75 ASN C C 74 176.527 176.251 0.276 1
1 1034 . 14 1 1 A 75 75 ASN CA C 74 52.686 51.223 1.463 1
1 1035 . 14 1 1 A 75 75 ASN CB C 74 39.583 41.272 -1.689 1
1 1037 . 14 1 1 A 75 75 ASN N N 74 121.274 119.929 1.345 1
1 1039 . 14 1 1 A 76 76 ALA H H 75 8.697 8.811 -0.114 1
1 1040 . 14 1 1 A 76 76 ALA HA H 75 3.966 4.054 -0.088 1
1 1044 . 14 1 1 A 76 76 ALA C C 75 178.002 178.758 -0.756 1
1 1045 . 14 1 1 A 76 76 ALA CA C 75 54.797 54.567 0.230 1
1 1046 . 14 1 1 A 76 76 ALA CB C 75 18.669 18.398 0.271 1
1 1047 . 14 1 1 A 76 76 ALA N N 75 123.590 126.415 -2.825 1
1 1048 . 14 1 1 A 77 77 ASN H H 76 8.344 7.945 0.399 1
1 1049 . 14 1 1 A 77 77 ASN HA H 76 4.585 4.636 -0.051 1
1 1054 . 14 1 1 A 77 77 ASN C C 76 175.371 175.470 -0.099 1
1 1055 . 14 1 1 A 77 77 ASN CA C 76 53.183 55.220 -2.037 1
1 1056 . 14 1 1 A 77 77 ASN CB C 76 38.277 39.042 -0.765 1
1 1058 . 14 1 1 A 77 77 ASN N N 76 112.004 115.870 -3.866 1
1 1060 . 14 1 1 A 78 78 GLN H H 77 7.532 7.787 -0.255 1
1 1061 . 14 1 1 A 78 78 GLN HA H 77 4.281 4.520 -0.239 1
1 1068 . 14 1 1 A 78 78 GLN C C 77 175.001 174.927 0.074 1
1 1069 . 14 1 1 A 78 78 GLN CA C 77 55.875 55.999 -0.124 1
1 1070 . 14 1 1 A 78 78 GLN CB C 77 30.227 29.733 0.494 1
1 1073 . 14 1 1 A 78 78 GLN N N 77 120.237 119.419 0.818 1
1 1075 . 14 1 1 A 79 79 ALA H H 78 8.732 8.728 0.004 1
1 1076 . 14 1 1 A 79 79 ALA HA H 78 4.183 5.564 -1.381 1
1 1080 . 14 1 1 A 79 79 ALA C C 78 176.367 175.858 0.509 1
1 1081 . 14 1 1 A 79 79 ALA CA C 78 52.798 50.189 2.609 1
1 1082 . 14 1 1 A 79 79 ALA CB C 78 20.051 22.743 -2.692 1
1 1083 . 14 1 1 A 79 79 ALA N N 78 130.399 128.481 1.918 1
1 1084 . 14 1 1 A 80 80 PHE H H 79 7.603 8.693 -1.090 1
1 1085 . 14 1 1 A 80 80 PHE HA H 79 4.449 5.459 -1.010 1
1 1093 . 14 1 1 A 80 80 PHE C C 79 171.709 173.074 -1.365 1
1 1094 . 14 1 1 A 80 80 PHE CA C 79 59.101 57.018 2.083 1
1 1095 . 14 1 1 A 80 80 PHE CB C 79 42.282 43.071 -0.789 1
1 1099 . 14 1 1 A 80 80 PHE N N 79 118.988 122.625 -3.637 1
1 1100 . 14 1 1 A 81 81 PHE H H 80 8.507 8.865 -0.358 1
1 1101 . 14 1 1 A 81 81 PHE HA H 80 4.421 4.812 -0.391 1
1 1109 . 14 1 1 A 81 81 PHE C C 80 172.644 173.695 -1.051 1
1 1110 . 14 1 1 A 81 81 PHE CA C 80 56.711 55.908 0.803 1
1 1111 . 14 1 1 A 81 81 PHE CB C 80 41.880 42.326 -0.446 1
1 1115 . 14 1 1 A 81 81 PHE N N 80 126.042 124.779 1.263 1
1 1116 . 14 1 1 A 82 82 LEU H H 81 8.199 8.807 -0.608 1
1 1117 . 14 1 1 A 82 82 LEU HA H 81 4.883 4.656 0.227 1
1 1127 . 14 1 1 A 82 82 LEU C C 81 174.440 174.651 -0.211 1
1 1128 . 14 1 1 A 82 82 LEU CA C 81 53.153 54.288 -1.135 1
1 1129 . 14 1 1 A 82 82 LEU CB C 81 45.520 43.290 2.230 1
1 1133 . 14 1 1 A 82 82 LEU N N 81 121.512 126.192 -4.680 1
1 1134 . 14 1 1 A 83 83 LEU H H 82 9.349 9.699 -0.350 1
1 1135 . 14 1 1 A 83 83 LEU HA H 82 4.810 4.916 -0.106 1
1 1145 . 14 1 1 A 83 83 LEU C C 82 177.075 175.672 1.403 1
1 1146 . 14 1 1 A 83 83 LEU CA C 82 54.122 53.633 0.489 1
1 1147 . 14 1 1 A 83 83 LEU CB C 82 43.394 42.209 1.185 1
1 1151 . 14 1 1 A 83 83 LEU N N 82 125.253 129.350 -4.097 1
1 1152 . 14 1 1 A 84 84 VAL H H 83 8.681 9.143 -0.462 1
1 1153 . 14 1 1 A 84 84 VAL HA H 83 4.411 4.247 0.164 1
1 1161 . 14 1 1 A 84 84 VAL C C 83 175.797 176.110 -0.313 1
1 1162 . 14 1 1 A 84 84 VAL CA C 83 61.630 61.666 -0.036 1
1 1163 . 14 1 1 A 84 84 VAL CB C 83 33.647 31.385 2.262 1
1 1166 . 14 1 1 A 84 84 VAL N N 83 123.543 125.025 -1.482 1
1 1167 . 14 1 1 A 85 85 ASN H H 84 9.622 9.343 0.279 1
1 1168 . 14 1 1 A 85 85 ASN HA H 84 4.399 4.614 -0.215 1
1 1173 . 14 1 1 A 85 85 ASN C C 84 175.042 174.914 0.128 1
1 1174 . 14 1 1 A 85 85 ASN CA C 84 54.610 54.264 0.346 1
1 1175 . 14 1 1 A 85 85 ASN CB C 84 37.927 36.889 1.038 1
1 1177 . 14 1 1 A 85 85 ASN N N 84 125.848 127.174 -1.326 1
1 1179 . 14 1 1 A 86 86 GLY H H 85 8.551 8.331 0.220 1
1 1180 . 14 1 1 A 86 86 GLY HA2 H 85 3.368 3.906 -0.538 1
1 1181 . 14 1 1 A 86 86 GLY HA3 H 85 4.064 3.924 0.140 1
1 1182 . 14 1 1 A 86 86 GLY C C 85 173.524 173.674 -0.150 1
1 1183 . 14 1 1 A 86 86 GLY CA C 85 45.588 45.310 0.278 1
1 1184 . 14 1 1 A 86 86 GLY N N 85 101.093 104.370 -3.277 1
1 1185 . 14 1 1 A 87 87 HIS H H 86 7.906 7.307 0.599 1
1 1186 . 14 1 1 A 87 87 HIS HA H 86 5.003 5.227 -0.224 1
1 1191 . 14 1 1 A 87 87 HIS C C 86 173.910 174.450 -0.540 1
1 1192 . 14 1 1 A 87 87 HIS CA C 86 54.213 53.712 0.501 1
1 1193 . 14 1 1 A 87 87 HIS CB C 86 31.482 32.958 -1.476 1
1 1196 . 14 1 1 A 87 87 HIS N N 86 117.253 115.544 1.709 1
1 1197 . 14 1 1 A 88 88 SER H H 87 8.846 8.978 -0.132 1
1 1198 . 14 1 1 A 88 88 SER HA H 87 4.702 4.547 0.155 1
1 1201 . 14 1 1 A 88 88 SER C C 87 175.739 175.724 0.015 1
1 1202 . 14 1 1 A 88 88 SER CA C 87 58.245 58.108 0.137 1
1 1203 . 14 1 1 A 88 88 SER CB C 87 63.764 64.975 -1.211 1
1 1204 . 14 1 1 A 88 88 SER N N 87 117.469 115.217 2.252 1
1 1205 . 14 1 1 A 89 89 MET H H 88 9.174 8.581 0.593 1
1 1206 . 14 1 1 A 89 89 MET HA H 88 4.820 4.833 -0.013 1
1 1214 . 14 1 1 A 89 89 MET C C 88 176.294 176.618 -0.324 1
1 1215 . 14 1 1 A 89 89 MET CA C 88 54.853 54.673 0.180 1
1 1216 . 14 1 1 A 89 89 MET CB C 88 33.183 32.817 0.366 1
1 1219 . 14 1 1 A 89 89 MET N N 88 125.111 117.458 7.653 1
1 1220 . 14 1 1 A 90 90 VAL H H 89 8.217 7.435 0.782 1
1 1221 . 14 1 1 A 90 90 VAL HA H 89 4.063 3.982 0.081 1
1 1229 . 14 1 1 A 90 90 VAL C C 89 176.249 176.124 0.125 1
1 1230 . 14 1 1 A 90 90 VAL CA C 89 63.377 63.256 0.121 1
1 1231 . 14 1 1 A 90 90 VAL CB C 89 32.473 31.414 1.059 1
1 1234 . 14 1 1 A 90 90 VAL N N 89 120.477 119.910 0.567 1
1 1235 . 14 1 1 A 91 91 SER H H 90 8.356 8.980 -0.624 1
1 1236 . 14 1 1 A 91 91 SER HA H 90 4.614 4.330 0.284 1
1 1239 . 14 1 1 A 91 91 SER C C 90 175.841 174.228 1.613 1
1 1240 . 14 1 1 A 91 91 SER CA C 90 57.860 59.491 -1.631 1
1 1241 . 14 1 1 A 91 91 SER CB C 90 63.398 61.063 2.335 1
1 1242 . 14 1 1 A 91 91 SER N N 90 116.676 121.575 -4.899 1
1 1243 . 14 1 1 A 92 92 VAL H H 91 8.158 7.523 0.635 1
1 1244 . 14 1 1 A 92 92 VAL HA H 91 4.245 3.938 0.307 1
1 1252 . 14 1 1 A 92 92 VAL C C 91 175.856 175.653 0.203 1
1 1253 . 14 1 1 A 92 92 VAL CA C 91 63.121 63.340 -0.219 1
1 1254 . 14 1 1 A 92 92 VAL CB C 91 31.872 32.190 -0.318 1
1 1257 . 14 1 1 A 92 92 VAL N N 91 119.994 122.620 -2.626 1
1 1258 . 14 1 1 A 93 93 SER H H 92 8.368 8.804 -0.436 1
1 1259 . 14 1 1 A 93 93 SER HA H 92 4.581 4.834 -0.253 1
1 1262 . 14 1 1 A 93 93 SER C C 92 174.154 173.826 0.328 1
1 1263 . 14 1 1 A 93 93 SER CA C 92 57.706 57.123 0.583 1
1 1264 . 14 1 1 A 93 93 SER CB C 92 63.126 64.791 -1.665 1
1 1265 . 14 1 1 A 93 93 SER N N 92 116.504 122.203 -5.699 1
1 1266 . 14 1 1 A 94 94 THR H H 93 7.427 7.644 -0.217 1
1 1267 . 14 1 1 A 94 94 THR HA H 93 4.464 4.675 -0.211 1
1 1272 . 14 1 1 A 94 94 THR CA C 93 61.032 59.121 1.911 1
1 1273 . 14 1 1 A 94 94 THR CB C 93 70.505 71.408 -0.903 1
1 1275 . 14 1 1 A 94 94 THR N N 93 119.172 116.990 2.182 1
1 1276 . 14 1 1 A 95 95 PRO HA H 94 4.426 4.715 -0.289 1
1 1283 . 14 1 1 A 95 95 PRO C C 94 178.692 177.997 0.695 1
1 1284 . 14 1 1 A 95 95 PRO CA C 94 62.921 62.675 0.246 1
1 1285 . 14 1 1 A 95 95 PRO CB C 94 32.774 32.619 0.155 1
1 1288 . 14 1 1 A 96 96 ILE H H 95 9.324 9.024 0.300 1
1 1289 . 14 1 1 A 96 96 ILE HA H 95 3.956 4.020 -0.064 1
1 1299 . 14 1 1 A 96 96 ILE C C 95 176.415 176.915 -0.500 1
1 1300 . 14 1 1 A 96 96 ILE CA C 95 63.880 63.497 0.383 1
1 1301 . 14 1 1 A 96 96 ILE CB C 95 38.055 38.141 -0.086 1
1 1305 . 14 1 1 A 96 96 ILE N N 95 123.862 125.397 -1.535 1
1 1306 . 14 1 1 A 97 97 SER H H 96 8.211 8.349 -0.138 1
1 1307 . 14 1 1 A 97 97 SER HA H 96 3.978 4.121 -0.143 1
1 1310 . 14 1 1 A 97 97 SER C C 96 176.494 176.858 -0.364 1
1 1311 . 14 1 1 A 97 97 SER CA C 96 61.576 61.561 0.015 1
1 1312 . 14 1 1 A 97 97 SER CB C 96 61.262 62.422 -1.160 1
1 1313 . 14 1 1 A 97 97 SER N N 96 116.529 117.254 -0.725 1
1 1314 . 14 1 1 A 98 98 GLU H H 97 7.329 8.165 -0.836 1
1 1315 . 14 1 1 A 98 98 GLU HA H 97 4.290 4.338 -0.048 1
1 1320 . 14 1 1 A 98 98 GLU C C 97 179.288 178.806 0.482 1
1 1321 . 14 1 1 A 98 98 GLU CA C 97 58.705 58.774 -0.069 1
1 1322 . 14 1 1 A 98 98 GLU CB C 97 29.791 30.270 -0.479 1
1 1324 . 14 1 1 A 98 98 GLU N N 97 122.955 122.239 0.716 1
1 1325 . 14 1 1 A 99 99 VAL H H 98 7.386 8.523 -1.137 1
1 1326 . 14 1 1 A 99 99 VAL HA H 98 3.815 3.751 0.064 1
1 1334 . 14 1 1 A 99 99 VAL C C 98 177.662 178.080 -0.418 1
1 1335 . 14 1 1 A 99 99 VAL CA C 98 65.774 66.234 -0.460 1
1 1336 . 14 1 1 A 99 99 VAL CB C 98 32.047 31.736 0.311 1
1 1339 . 14 1 1 A 99 99 VAL N N 98 120.888 120.750 0.138 1
1 1340 . 14 1 1 A 100 100 TYR H H 99 8.984 7.819 1.165 1
1 1341 . 14 1 1 A 100 100 TYR HA H 99 4.013 4.276 -0.263 1
1 1348 . 14 1 1 A 100 100 TYR C C 99 176.355 178.109 -1.754 1
1 1349 . 14 1 1 A 100 100 TYR CA C 99 62.118 60.936 1.182 1
1 1350 . 14 1 1 A 100 100 TYR CB C 99 38.921 38.510 0.411 1
1 1353 . 14 1 1 A 100 100 TYR N N 99 118.874 120.650 -1.776 1
1 1354 . 14 1 1 A 101 101 GLU H H 100 7.433 8.748 -1.315 1
1 1355 . 14 1 1 A 101 101 GLU HA H 100 3.833 4.137 -0.304 1
1 1360 . 14 1 1 A 101 101 GLU C C 100 177.674 176.816 0.858 1
1 1361 . 14 1 1 A 101 101 GLU CA C 100 58.895 57.853 1.042 1
1 1362 . 14 1 1 A 101 101 GLU CB C 100 29.577 28.906 0.671 1
1 1364 . 14 1 1 A 101 101 GLU N N 100 114.383 117.586 -3.203 1
1 1365 . 14 1 1 A 102 102 SER H H 101 7.423 8.113 -0.690 1
1 1366 . 14 1 1 A 102 102 SER HA H 101 4.552 4.697 -0.145 1
1 1369 . 14 1 1 A 102 102 SER C C 101 176.554 174.714 1.840 1
1 1370 . 14 1 1 A 102 102 SER CA C 101 60.200 58.333 1.867 1
1 1371 . 14 1 1 A 102 102 SER CB C 101 64.828 64.105 0.723 1
1 1372 . 14 1 1 A 102 102 SER N N 101 108.722 115.243 -6.521 1
1 1373 . 14 1 1 A 103 103 GLU H H 102 8.488 7.677 0.811 1
1 1374 . 14 1 1 A 103 103 GLU HA H 102 4.752 4.513 0.239 1
1 1379 . 14 1 1 A 103 103 GLU C C 102 176.653 176.355 0.298 1
1 1380 . 14 1 1 A 103 103 GLU CA C 102 55.464 57.312 -1.848 1
1 1381 . 14 1 1 A 103 103 GLU CB C 102 30.611 32.286 -1.675 1
1 1383 . 14 1 1 A 103 103 GLU N N 102 116.116 118.626 -2.510 1
1 1384 . 14 1 1 A 104 104 ARG H H 103 7.511 7.666 -0.155 1
1 1385 . 14 1 1 A 104 104 ARG HA H 103 4.241 4.154 0.087 1
1 1392 . 14 1 1 A 104 104 ARG C C 103 174.634 175.542 -0.908 1
1 1393 . 14 1 1 A 104 104 ARG CA C 103 56.926 56.184 0.742 1
1 1394 . 14 1 1 A 104 104 ARG CB C 103 29.713 30.006 -0.293 1
1 1397 . 14 1 1 A 104 104 ARG N N 103 117.180 118.235 -1.055 1
1 1398 . 14 1 1 A 105 105 ASP H H 104 9.069 8.990 0.079 1
1 1399 . 14 1 1 A 105 105 ASP HA H 104 4.774 4.990 -0.216 1
1 1402 . 14 1 1 A 105 105 ASP C C 104 177.460 177.183 0.277 1
1 1403 . 14 1 1 A 105 105 ASP CA C 104 53.852 52.644 1.208 1
1 1404 . 14 1 1 A 105 105 ASP CB C 104 43.424 43.248 0.176 1
1 1405 . 14 1 1 A 105 105 ASP N N 104 123.349 122.164 1.185 1
1 1406 . 14 1 1 A 106 106 GLU H H 105 8.982 8.917 0.065 1
1 1407 . 14 1 1 A 106 106 GLU HA H 105 4.199 4.009 0.190 1
1 1412 . 14 1 1 A 106 106 GLU C C 105 177.398 177.999 -0.601 1
1 1413 . 14 1 1 A 106 106 GLU CA C 105 59.413 59.799 -0.386 1
1 1414 . 14 1 1 A 106 106 GLU CB C 105 29.983 29.442 0.541 1
1 1416 . 14 1 1 A 106 106 GLU N N 105 125.197 121.248 3.949 1
1 1417 . 14 1 1 A 107 107 ASP H H 106 9.873 7.970 1.903 1
1 1418 . 14 1 1 A 107 107 ASP HA H 106 4.211 4.090 0.121 1
1 1421 . 14 1 1 A 107 107 ASP C C 106 175.775 176.728 -0.953 1
1 1422 . 14 1 1 A 107 107 ASP CA C 106 54.698 54.992 -0.294 1
1 1423 . 14 1 1 A 107 107 ASP CB C 106 40.187 40.887 -0.700 1
1 1424 . 14 1 1 A 107 107 ASP N N 106 118.717 116.752 1.965 1
1 1425 . 14 1 1 A 108 108 GLY H H 107 7.971 8.135 -0.164 1
1 1426 . 14 1 1 A 108 108 GLY HA2 H 107 3.431 3.867 -0.436 1
1 1427 . 14 1 1 A 108 108 GLY HA3 H 107 4.526 3.886 0.640 1
1 1428 . 14 1 1 A 108 108 GLY C C 107 175.138 173.811 1.327 1
1 1429 . 14 1 1 A 108 108 GLY CA C 107 45.029 45.960 -0.931 1
1 1430 . 14 1 1 A 108 108 GLY N N 107 105.017 108.448 -3.431 1
1 1431 . 14 1 1 A 109 109 PHE H H 108 9.799 7.764 2.035 1
1 1432 . 14 1 1 A 109 109 PHE HA H 108 4.607 4.846 -0.239 1
1 1440 . 14 1 1 A 109 109 PHE C C 108 175.171 174.478 0.693 1
1 1441 . 14 1 1 A 109 109 PHE CA C 108 60.222 56.723 3.499 1
1 1442 . 14 1 1 A 109 109 PHE CB C 108 40.433 43.079 -2.646 1
1 1446 . 14 1 1 A 109 109 PHE N N 108 123.309 119.010 4.299 1
1 1447 . 14 1 1 A 110 110 LEU H H 109 8.061 8.561 -0.500 1
1 1448 . 14 1 1 A 110 110 LEU HA H 109 5.022 4.388 0.634 1
1 1458 . 14 1 1 A 110 110 LEU C C 109 174.033 175.748 -1.715 1
1 1459 . 14 1 1 A 110 110 LEU CA C 109 53.539 54.796 -1.257 1
1 1460 . 14 1 1 A 110 110 LEU CB C 109 45.284 42.400 2.884 1
1 1464 . 14 1 1 A 110 110 LEU N N 109 119.999 124.763 -4.764 1
1 1465 . 14 1 1 A 111 111 TYR H H 110 9.363 9.249 0.114 1
1 1466 . 14 1 1 A 111 111 TYR HA H 110 4.906 5.181 -0.275 1
1 1473 . 14 1 1 A 111 111 TYR C C 110 176.538 174.936 1.602 1
1 1474 . 14 1 1 A 111 111 TYR CA C 110 59.335 56.595 2.740 1
1 1475 . 14 1 1 A 111 111 TYR CB C 110 39.485 40.253 -0.768 1
1 1478 . 14 1 1 A 111 111 TYR N N 110 126.322 123.093 3.229 1
1 1479 . 14 1 1 A 112 112 MET H H 111 9.496 8.693 0.803 1
1 1480 . 14 1 1 A 112 112 MET HA H 111 5.522 5.367 0.155 1
1 1488 . 14 1 1 A 112 112 MET C C 111 175.676 174.328 1.348 1
1 1489 . 14 1 1 A 112 112 MET CA C 111 54.216 54.518 -0.302 1
1 1490 . 14 1 1 A 112 112 MET CB C 111 36.821 37.070 -0.249 1
1 1493 . 14 1 1 A 112 112 MET N N 111 119.003 123.601 -4.598 1
1 1494 . 14 1 1 A 113 113 VAL H H 112 8.749 8.838 -0.089 1
1 1495 . 14 1 1 A 113 113 VAL HA H 112 5.967 4.937 1.030 1
1 1503 . 14 1 1 A 113 113 VAL C C 112 174.893 175.053 -0.160 1
1 1504 . 14 1 1 A 113 113 VAL CA C 112 58.896 61.230 -2.334 1
1 1505 . 14 1 1 A 113 113 VAL CB C 112 36.149 33.479 2.670 1
1 1508 . 14 1 1 A 113 113 VAL N N 112 119.658 122.592 -2.934 1
1 1509 . 14 1 1 A 114 114 TYR H H 113 8.210 8.503 -0.293 1
1 1510 . 14 1 1 A 114 114 TYR HA H 113 6.141 6.007 0.134 1
1 1517 . 14 1 1 A 114 114 TYR C C 113 173.353 173.571 -0.218 1
1 1518 . 14 1 1 A 114 114 TYR CA C 113 54.161 54.800 -0.639 1
1 1519 . 14 1 1 A 114 114 TYR CB C 113 43.538 42.103 1.435 1
1 1522 . 14 1 1 A 114 114 TYR N N 113 118.947 123.470 -4.523 1
1 1523 . 14 1 1 A 115 115 ALA H H 114 8.483 8.338 0.145 1
1 1524 . 14 1 1 A 115 115 ALA HA H 114 4.762 4.663 0.099 1
1 1528 . 14 1 1 A 115 115 ALA C C 114 176.033 177.117 -1.084 1
1 1529 . 14 1 1 A 115 115 ALA CA C 114 51.223 51.201 0.022 1
1 1530 . 14 1 1 A 115 115 ALA CB C 114 24.521 22.820 1.701 1
1 1531 . 14 1 1 A 115 115 ALA N N 114 119.557 121.453 -1.896 1
1 1532 . 14 1 1 A 116 116 SER H H 115 9.835 8.809 1.026 1
1 1533 . 14 1 1 A 116 116 SER HA H 115 4.497 4.985 -0.488 1
1 1536 . 14 1 1 A 116 116 SER C C 115 172.664 173.782 -1.118 1
1 1537 . 14 1 1 A 116 116 SER CA C 115 58.669 57.888 0.781 1
1 1538 . 14 1 1 A 116 116 SER CB C 115 63.570 63.644 -0.074 1
1 1539 . 14 1 1 A 116 116 SER N N 115 114.435 114.387 0.048 1
1 1540 . 14 1 1 A 117 117 GLN H H 116 7.180 7.496 -0.316 1
1 1541 . 14 1 1 A 117 117 GLN HA H 116 4.460 4.839 -0.379 1
1 1548 . 14 1 1 A 117 117 GLN C C 116 172.901 174.795 -1.894 1
1 1549 . 14 1 1 A 117 117 GLN CA C 116 53.974 55.354 -1.380 1
1 1550 . 14 1 1 A 117 117 GLN CB C 116 32.192 32.065 0.127 1
1 1553 . 14 1 1 A 117 117 GLN N N 116 116.449 121.065 -4.616 1
1 1555 . 14 1 1 A 118 118 GLU H H 117 7.878 8.421 -0.543 1
1 1556 . 14 1 1 A 118 118 GLU HA H 117 3.259 4.476 -1.217 1
1 1561 . 14 1 1 A 118 118 GLU C C 117 175.233 176.642 -1.409 1
1 1562 . 14 1 1 A 118 118 GLU CA C 117 56.890 56.009 0.881 1
1 1563 . 14 1 1 A 118 118 GLU CB C 117 30.325 30.577 -0.252 1
1 1565 . 14 1 1 A 118 118 GLU N N 117 117.687 124.587 -6.900 1
1 1566 . 14 1 1 A 119 119 THR H H 118 6.968 7.432 -0.464 1
1 1567 . 14 1 1 A 119 119 THR HA H 118 4.082 4.402 -0.320 1
1 1572 . 14 1 1 A 119 119 THR C C 118 173.134 174.645 -1.511 1
1 1573 . 14 1 1 A 119 119 THR CA C 118 60.123 59.434 0.689 1
1 1574 . 14 1 1 A 119 119 THR CB C 118 70.147 68.465 1.682 1
1 1576 . 14 1 1 A 119 119 THR N N 118 109.548 108.950 0.598 1
1 1577 . 14 1 1 A 120 120 PHE H H 119 8.138 7.695 0.443 1
1 1578 . 14 1 1 A 120 120 PHE HA H 119 4.436 4.637 -0.201 1
1 1586 . 14 1 1 A 120 120 PHE C C 119 174.902 176.895 -1.993 1
1 1587 . 14 1 1 A 120 120 PHE CA C 119 56.750 57.715 -0.965 1
1 1588 . 14 1 1 A 120 120 PHE CB C 119 39.411 40.892 -1.481 1
1 1592 . 14 1 1 A 120 120 PHE N N 119 121.777 120.688 1.089 1
1 1607 . 14 2 2 B 2 2 SER H H 332 8.471 8.697 -0.226 1
1 1608 . 14 2 2 B 2 2 SER HA H 332 4.484 5.168 -0.684 1
1 1611 . 14 2 2 B 2 2 SER C C 332 174.962 174.431 0.531 1
1 1612 . 14 2 2 B 2 2 SER CA C 332 88.436 56.603 31.833 1
1 1613 . 14 2 2 B 2 2 SER CB C 332 93.927 65.285 28.642 1
1 1614 . 14 2 2 B 2 2 SER N N 332 147.261 117.465 29.796 1
1 1615 . 14 2 2 B 3 3 GLY H H 333 8.601 8.938 -0.337 1
1 1616 . 14 2 2 B 3 3 GLY HA2 H 333 4.022 3.918 0.104 1
1 1617 . 14 2 2 B 3 3 GLY HA3 H 333 4.022 3.927 0.095 1
1 1618 . 14 2 2 B 3 3 GLY C C 333 174.774 174.945 -0.171 1
1 1619 . 14 2 2 B 3 3 GLY CA C 333 75.465 45.556 29.909 1
1 1620 . 14 2 2 B 3 3 GLY N N 333 141.077 113.477 27.600 1
1 1621 . 14 2 2 B 4 4 GLY H H 334 8.372 8.805 -0.433 1
1 1622 . 14 2 2 B 4 4 GLY HA2 H 334 3.980 4.148 -0.168 1
1 1623 . 14 2 2 B 4 4 GLY HA3 H 334 3.980 4.153 -0.173 1
1 1624 . 14 2 2 B 4 4 GLY C C 334 174.758 173.658 1.100 1
1 1625 . 14 2 2 B 4 4 GLY CA C 334 75.674 45.655 30.019 1
1 1626 . 14 2 2 B 4 4 GLY N N 334 138.894 110.353 28.541 1
1 1627 . 14 2 2 B 5 5 ASP H H 335 8.429 7.777 0.652 1
1 1628 . 14 2 2 B 5 5 ASP HA H 335 4.610 4.953 -0.343 1
1 1631 . 14 2 2 B 5 5 ASP CA C 335 85.066 53.022 32.044 1
1 1632 . 14 2 2 B 5 5 ASP CB C 335 71.191 39.236 31.955 1
1 1633 . 14 2 2 B 5 5 ASP N N 335 149.637 120.277 29.360 1
1 1634 . 14 2 2 B 6 6 ASP H H 336 8.244 8.168 0.076 1
1 1635 . 14 2 2 B 6 6 ASP HA H 336 4.559 4.536 0.023 1
1 1638 . 14 2 2 B 6 6 ASP C C 336 175.432 176.513 -1.081 1
1 1639 . 14 2 2 B 6 6 ASP CA C 336 84.708 57.291 27.417 1
1 1640 . 14 2 2 B 6 6 ASP CB C 336 71.552 41.744 29.808 1
1 1641 . 14 2 2 B 6 6 ASP N N 336 148.885 124.619 24.266 1
1 1642 . 14 2 2 B 7 7 ASP H H 337 7.803 8.084 -0.281 1
1 1643 . 14 2 2 B 7 7 ASP HA H 337 4.655 5.084 -0.429 1
1 1646 . 14 2 2 B 7 7 ASP C C 337 175.362 175.611 -0.249 1
1 1647 . 14 2 2 B 7 7 ASP CA C 337 83.670 52.891 30.779 1
1 1648 . 14 2 2 B 7 7 ASP CB C 337 71.933 43.683 28.250 1
1 1649 . 14 2 2 B 7 7 ASP N N 337 149.563 118.365 31.198 1
1 1650 . 14 2 2 B 8 8 TRP H H 338 8.472 8.539 -0.067 1
1 1651 . 14 2 2 B 8 8 TRP HA H 338 4.174 4.858 -0.684 1
1 1660 . 14 2 2 B 8 8 TRP C C 338 175.959 176.177 -0.218 1
1 1661 . 14 2 2 B 8 8 TRP CA C 338 87.020 57.264 29.756 1
1 1662 . 14 2 2 B 8 8 TRP CB C 338 61.223 30.130 31.093 1
1 1668 . 14 2 2 B 8 8 TRP N N 338 150.172 124.194 25.978 1
1 1670 . 14 2 2 B 9 9 THR H H 339 7.994 8.762 -0.768 1
1 1671 . 14 2 2 B 9 9 THR HA H 339 4.533 4.479 0.054 1
1 1676 . 14 2 2 B 9 9 THR C C 339 174.035 173.965 0.070 1
1 1677 . 14 2 2 B 9 9 THR CA C 339 92.659 61.393 31.266 1
1 1678 . 14 2 2 B 9 9 THR CB C 339 99.436 70.527 28.909 1
1 1680 . 14 2 2 B 9 9 THR N N 339 149.503 114.887 34.616 1
1 1681 . 14 2 2 B 10 10 HIS H H 340 9.463 8.274 1.189 1
1 1682 . 14 2 2 B 10 10 HIS HA H 340 4.677 5.706 -1.029 1
1 1687 . 14 2 2 B 10 10 HIS C C 340 175.606 173.921 1.685 1
1 1688 . 14 2 2 B 10 10 HIS CA C 340 87.024 53.472 33.552 1
1 1689 . 14 2 2 B 10 10 HIS CB C 340 61.368 32.548 28.820 1
1 1692 . 14 2 2 B 10 10 HIS N N 340 159.135 117.937 41.198 1
1 1693 . 14 2 2 B 11 11 LEU H H 341 8.398 9.197 -0.799 1
1 1694 . 14 2 2 B 11 11 LEU HA H 341 4.848 5.043 -0.195 1
1 1704 . 14 2 2 B 11 11 LEU C C 341 175.919 175.563 0.356 1
1 1705 . 14 2 2 B 11 11 LEU CA C 341 83.684 53.602 30.082 1
1 1706 . 14 2 2 B 11 11 LEU CB C 341 73.601 42.854 30.747 1
1 1710 . 14 2 2 B 11 11 LEU N N 341 153.300 125.370 27.930 1
1 1711 . 14 2 2 B 12 12 SER H H 342 8.382 9.042 -0.660 1
1 1712 . 14 2 2 B 12 12 SER HA H 342 4.652 5.062 -0.410 1
1 1715 . 14 2 2 B 12 12 SER C C 342 174.263 175.099 -0.836 1
1 1716 . 14 2 2 B 12 12 SER CA C 342 86.841 57.831 29.010 1
1 1717 . 14 2 2 B 12 12 SER CB C 342 95.113 64.267 30.846 1
1 1718 . 14 2 2 B 12 12 SER N N 342 144.018 123.336 20.682 1
1 1719 . 14 2 2 B 13 13 SER H H 343 8.937 9.083 -0.146 1
1 1720 . 14 2 2 B 13 13 SER HA H 343 4.291 4.384 -0.093 1
1 1723 . 14 2 2 B 13 13 SER C C 343 174.652 174.784 -0.132 1
1 1724 . 14 2 2 B 13 13 SER CA C 343 89.546 60.355 29.191 1
1 1725 . 14 2 2 B 13 13 SER CB C 343 93.470 63.124 30.346 1
1 1726 . 14 2 2 B 13 13 SER N N 343 148.575 120.214 28.361 1
1 1727 . 14 2 2 B 14 14 LYS H H 344 8.250 8.294 -0.044 1
1 1728 . 14 2 2 B 14 14 LYS HA H 344 4.319 4.235 0.084 1
1 1737 . 14 2 2 B 14 14 LYS C C 344 176.699 177.503 -0.804 1
1 1738 . 14 2 2 B 14 14 LYS CA C 344 86.716 58.217 28.499 1
1 1739 . 14 2 2 B 14 14 LYS CB C 344 62.831 33.159 29.672 1
1 1743 . 14 2 2 B 14 14 LYS N N 344 151.908 121.818 30.090 1
1 1744 . 14 2 2 B 15 15 GLU H H 345 8.256 7.520 0.736 1
1 1745 . 14 2 2 B 15 15 GLU HA H 345 4.240 4.389 -0.149 1
1 1750 . 14 2 2 B 15 15 GLU C C 345 176.152 176.262 -0.110 1
1 1751 . 14 2 2 B 15 15 GLU CA C 345 87.152 56.889 30.263 1
1 1752 . 14 2 2 B 15 15 GLU CB C 345 60.176 30.302 29.874 1
1 1754 . 14 2 2 B 15 15 GLU N N 345 150.679 117.955 32.724 1
1 1755 . 14 2 2 B 16 16 VAL H H 346 7.762 7.345 0.417 1
1 1756 . 14 2 2 B 16 16 VAL HA H 346 4.161 4.168 -0.007 1
1 1764 . 14 2 2 B 16 16 VAL C C 346 174.646 175.496 -0.850 1
1 1765 . 14 2 2 B 16 16 VAL CA C 346 91.707 60.771 30.936 1
1 1766 . 14 2 2 B 16 16 VAL CB C 346 63.107 33.993 29.114 1
1 1769 . 14 2 2 B 16 16 VAL N N 346 146.718 116.369 30.349 1
1 9 . 15 1 1 A 2 2 MET H H 1 8.414 8.916 -0.502 1
1 10 . 15 1 1 A 2 2 MET HA H 1 4.826 4.965 -0.139 1
1 18 . 15 1 1 A 2 2 MET CA C 1 53.382 53.052 0.330 1
1 19 . 15 1 1 A 2 2 MET CB C 1 32.478 34.193 -1.715 1
1 22 . 15 1 1 A 2 2 MET N N 1 122.882 125.396 -2.514 1
1 23 . 15 1 1 A 3 3 PRO HA H 2 4.425 4.616 -0.191 1
1 30 . 15 1 1 A 3 3 PRO C C 2 176.847 174.652 2.195 1
1 31 . 15 1 1 A 3 3 PRO CA C 2 63.386 62.569 0.817 1
1 32 . 15 1 1 A 3 3 PRO CB C 2 32.077 29.281 2.796 1
1 35 . 15 1 1 A 4 4 SER H H 3 8.347 8.415 -0.068 1
1 36 . 15 1 1 A 4 4 SER HA H 3 4.391 4.952 -0.561 1
1 39 . 15 1 1 A 4 4 SER C C 3 174.643 172.035 2.608 1
1 40 . 15 1 1 A 4 4 SER CA C 3 58.336 57.425 0.911 1
1 41 . 15 1 1 A 4 4 SER CB C 3 63.798 65.727 -1.929 1
1 42 . 15 1 1 A 4 4 SER N N 3 115.234 113.537 1.697 1
1 43 . 15 1 1 A 5 5 GLU H H 4 8.472 8.966 -0.494 1
1 44 . 15 1 1 A 5 5 GLU HA H 4 4.297 5.060 -0.763 1
1 49 . 15 1 1 A 5 5 GLU C C 4 176.352 176.125 0.227 1
1 50 . 15 1 1 A 5 5 GLU CA C 4 56.572 54.614 1.958 1
1 51 . 15 1 1 A 5 5 GLU CB C 4 30.285 32.785 -2.500 1
1 53 . 15 1 1 A 5 5 GLU N N 4 123.045 125.152 -2.107 1
1 54 . 15 1 1 A 6 6 LYS H H 5 8.214 8.426 -0.212 1
1 55 . 15 1 1 A 6 6 LYS HA H 5 4.500 4.374 0.126 1
1 64 . 15 1 1 A 6 6 LYS C C 5 177.243 175.839 1.404 1
1 65 . 15 1 1 A 6 6 LYS CA C 5 55.943 56.317 -0.374 1
1 66 . 15 1 1 A 6 6 LYS CB C 5 34.621 33.628 0.993 1
1 70 . 15 1 1 A 6 6 LYS N N 5 121.467 127.125 -5.658 1
1 71 . 15 1 1 A 7 7 THR H H 6 8.431 8.318 0.113 1
1 72 . 15 1 1 A 7 7 THR HA H 6 4.383 4.705 -0.322 1
1 77 . 15 1 1 A 7 7 THR C C 6 175.360 176.086 -0.726 1
1 78 . 15 1 1 A 7 7 THR CA C 6 61.124 59.427 1.697 1
1 79 . 15 1 1 A 7 7 THR CB C 6 69.863 71.705 -1.842 1
1 81 . 15 1 1 A 7 7 THR N N 6 114.691 112.067 2.624 1
1 82 . 15 1 1 A 8 8 PHE H H 7 10.194 8.829 1.365 1
1 83 . 15 1 1 A 8 8 PHE HA H 7 3.904 4.231 -0.327 1
1 88 . 15 1 1 A 8 8 PHE C C 7 177.000 177.499 -0.499 1
1 89 . 15 1 1 A 8 8 PHE CA C 7 63.388 60.434 2.954 1
1 90 . 15 1 1 A 8 8 PHE CB C 7 39.586 38.768 0.818 1
1 92 . 15 1 1 A 8 8 PHE N N 7 124.861 123.205 1.656 1
1 93 . 15 1 1 A 9 9 LYS H H 8 8.707 8.359 0.348 1
1 94 . 15 1 1 A 9 9 LYS HA H 8 3.761 4.048 -0.287 1
1 103 . 15 1 1 A 9 9 LYS C C 8 177.496 178.852 -1.356 1
1 104 . 15 1 1 A 9 9 LYS CA C 8 59.945 59.169 0.776 1
1 105 . 15 1 1 A 9 9 LYS CB C 8 33.870 31.959 1.911 1
1 109 . 15 1 1 A 9 9 LYS N N 8 114.189 117.284 -3.095 1
1 110 . 15 1 1 A 10 10 GLN H H 9 7.284 8.194 -0.910 1
1 111 . 15 1 1 A 10 10 GLN HA H 9 4.113 4.192 -0.079 1
1 118 . 15 1 1 A 10 10 GLN C C 9 177.416 178.133 -0.717 1
1 119 . 15 1 1 A 10 10 GLN CA C 9 56.743 58.080 -1.337 1
1 120 . 15 1 1 A 10 10 GLN CB C 9 30.002 29.065 0.937 1
1 123 . 15 1 1 A 10 10 GLN N N 9 112.843 119.148 -6.305 1
1 125 . 15 1 1 A 11 11 ARG H H 10 7.889 8.354 -0.465 1
1 126 . 15 1 1 A 11 11 ARG HA H 10 4.255 3.943 0.312 1
1 133 . 15 1 1 A 11 11 ARG C C 10 175.059 176.780 -1.721 1
1 134 . 15 1 1 A 11 11 ARG CA C 10 57.018 59.569 -2.551 1
1 135 . 15 1 1 A 11 11 ARG CB C 10 31.628 30.350 1.278 1
1 138 . 15 1 1 A 11 11 ARG N N 10 117.567 120.799 -3.232 1
1 139 . 15 1 1 A 12 12 ARG H H 11 7.443 7.909 -0.466 1
1 140 . 15 1 1 A 12 12 ARG HA H 11 4.493 4.282 0.211 1
1 147 . 15 1 1 A 12 12 ARG CA C 11 54.172 57.324 -3.152 1
1 148 . 15 1 1 A 12 12 ARG CB C 11 32.857 30.580 2.277 1
1 151 . 15 1 1 A 12 12 ARG N N 11 122.786 120.457 2.329 1
1 152 . 15 1 1 A 13 13 SER HA H 12 4.403 4.500 -0.097 1
1 155 . 15 1 1 A 13 13 SER C C 12 174.222 175.456 -1.234 1
1 156 . 15 1 1 A 13 13 SER CA C 12 58.274 60.066 -1.792 1
1 157 . 15 1 1 A 13 13 SER CB C 12 64.821 63.465 1.356 1
1 158 . 15 1 1 A 14 14 PHE H H 13 9.239 9.298 -0.059 1
1 159 . 15 1 1 A 14 14 PHE HA H 13 4.035 4.187 -0.152 1
1 165 . 15 1 1 A 14 14 PHE C C 13 176.023 177.358 -1.335 1
1 166 . 15 1 1 A 14 14 PHE CA C 13 62.790 62.426 0.364 1
1 167 . 15 1 1 A 14 14 PHE CB C 13 39.580 39.761 -0.181 1
1 169 . 15 1 1 A 14 14 PHE N N 13 123.729 125.760 -2.031 1
1 170 . 15 1 1 A 15 15 GLU H H 14 9.093 8.591 0.502 1
1 171 . 15 1 1 A 15 15 GLU HA H 14 3.813 4.135 -0.322 1
1 176 . 15 1 1 A 15 15 GLU C C 14 179.549 177.721 1.828 1
1 177 . 15 1 1 A 15 15 GLU CA C 14 60.444 58.199 2.245 1
1 178 . 15 1 1 A 15 15 GLU CB C 14 28.804 28.712 0.092 1
1 180 . 15 1 1 A 15 15 GLU N N 14 115.336 116.669 -1.333 1
1 181 . 15 1 1 A 16 16 GLN H H 15 7.752 8.458 -0.706 1
1 182 . 15 1 1 A 16 16 GLN HA H 15 4.044 4.245 -0.201 1
1 189 . 15 1 1 A 16 16 GLN C C 15 177.931 177.556 0.375 1
1 190 . 15 1 1 A 16 16 GLN CA C 15 58.486 57.773 0.713 1
1 191 . 15 1 1 A 16 16 GLN CB C 15 29.393 28.669 0.724 1
1 194 . 15 1 1 A 16 16 GLN N N 15 119.145 118.580 0.565 1
1 196 . 15 1 1 A 17 17 ARG H H 16 8.577 8.365 0.212 1
1 197 . 15 1 1 A 17 17 ARG HA H 16 4.280 4.310 -0.030 1
1 202 . 15 1 1 A 17 17 ARG C C 16 177.128 178.648 -1.520 1
1 203 . 15 1 1 A 17 17 ARG CA C 16 61.442 59.004 2.438 1
1 204 . 15 1 1 A 17 17 ARG N N 16 121.288 118.737 2.551 1
1 205 . 15 1 1 A 18 18 VAL H H 17 8.329 7.827 0.502 1
1 206 . 15 1 1 A 18 18 VAL HA H 17 3.938 4.290 -0.352 1
1 214 . 15 1 1 A 18 18 VAL C C 17 179.744 177.575 2.169 1
1 215 . 15 1 1 A 18 18 VAL CA C 17 65.441 64.552 0.889 1
1 216 . 15 1 1 A 18 18 VAL CB C 17 32.080 31.370 0.710 1
1 219 . 15 1 1 A 18 18 VAL N N 17 116.752 120.106 -3.354 1
1 220 . 15 1 1 A 19 19 GLU H H 18 7.445 8.480 -1.035 1
1 221 . 15 1 1 A 19 19 GLU HA H 18 4.270 3.931 0.339 1
1 226 . 15 1 1 A 19 19 GLU C C 18 177.625 178.498 -0.873 1
1 227 . 15 1 1 A 19 19 GLU CA C 18 58.637 59.902 -1.265 1
1 228 . 15 1 1 A 19 19 GLU CB C 18 29.398 29.217 0.181 1
1 230 . 15 1 1 A 19 19 GLU N N 18 120.323 121.058 -0.735 1
1 231 . 15 1 1 A 20 20 ASP H H 19 8.690 7.966 0.724 1
1 232 . 15 1 1 A 20 20 ASP HA H 19 4.514 4.472 0.042 1
1 235 . 15 1 1 A 20 20 ASP C C 19 179.877 178.623 1.254 1
1 236 . 15 1 1 A 20 20 ASP CA C 19 57.224 57.236 -0.012 1
1 237 . 15 1 1 A 20 20 ASP CB C 19 41.487 41.254 0.233 1
1 238 . 15 1 1 A 20 20 ASP N N 19 120.313 120.606 -0.293 1
1 239 . 15 1 1 A 21 21 VAL H H 20 7.731 7.802 -0.071 1
1 240 . 15 1 1 A 21 21 VAL HA H 20 3.394 3.409 -0.015 1
1 248 . 15 1 1 A 21 21 VAL C C 20 176.989 177.925 -0.936 1
1 249 . 15 1 1 A 21 21 VAL CA C 20 65.989 66.238 -0.249 1
1 250 . 15 1 1 A 21 21 VAL CB C 20 31.291 31.408 -0.117 1
1 253 . 15 1 1 A 21 21 VAL N N 20 119.119 119.909 -0.790 1
1 254 . 15 1 1 A 22 22 ARG H H 21 8.313 7.880 0.433 1
1 255 . 15 1 1 A 22 22 ARG HA H 21 3.825 3.989 -0.164 1
1 263 . 15 1 1 A 22 22 ARG C C 21 180.178 178.495 1.683 1
1 264 . 15 1 1 A 22 22 ARG CA C 21 59.821 59.369 0.452 1
1 265 . 15 1 1 A 22 22 ARG CB C 21 30.164 30.076 0.088 1
1 269 . 15 1 1 A 22 22 ARG N N 21 120.772 120.408 0.364 1
1 271 . 15 1 1 A 23 23 LEU H H 22 8.306 7.971 0.335 1
1 272 . 15 1 1 A 23 23 LEU HA H 22 4.076 4.012 0.064 1
1 282 . 15 1 1 A 23 23 LEU C C 22 180.221 179.658 0.563 1
1 283 . 15 1 1 A 23 23 LEU CA C 22 57.541 57.943 -0.402 1
1 284 . 15 1 1 A 23 23 LEU CB C 22 42.300 42.116 0.184 1
1 288 . 15 1 1 A 23 23 LEU N N 22 116.413 119.201 -2.788 1
1 289 . 15 1 1 A 24 24 ILE H H 23 7.864 7.863 0.001 1
1 290 . 15 1 1 A 24 24 ILE HA H 23 4.090 3.830 0.260 1
1 300 . 15 1 1 A 24 24 ILE C C 23 177.922 178.496 -0.574 1
1 301 . 15 1 1 A 24 24 ILE CA C 23 60.190 64.309 -4.119 1
1 302 . 15 1 1 A 24 24 ILE CB C 23 38.072 37.292 0.780 1
1 306 . 15 1 1 A 24 24 ILE N N 23 121.259 118.677 2.582 1
1 307 . 15 1 1 A 25 25 ARG H H 24 8.339 8.378 -0.039 1
1 308 . 15 1 1 A 25 25 ARG HA H 24 3.973 4.033 -0.060 1
1 316 . 15 1 1 A 25 25 ARG C C 24 178.479 178.162 0.317 1
1 317 . 15 1 1 A 25 25 ARG CA C 24 57.337 59.299 -1.962 1
1 318 . 15 1 1 A 25 25 ARG CB C 24 28.663 30.014 -1.351 1
1 322 . 15 1 1 A 25 25 ARG N N 24 121.816 121.954 -0.138 1
1 324 . 15 1 1 A 26 26 GLU H H 25 7.133 8.149 -1.016 1
1 325 . 15 1 1 A 26 26 GLU HA H 25 4.052 4.264 -0.212 1
1 330 . 15 1 1 A 26 26 GLU C C 25 178.158 176.834 1.324 1
1 331 . 15 1 1 A 26 26 GLU CA C 25 58.367 57.278 1.089 1
1 332 . 15 1 1 A 26 26 GLU CB C 25 29.903 30.100 -0.197 1
1 334 . 15 1 1 A 26 26 GLU N N 25 116.794 117.194 -0.400 1
1 335 . 15 1 1 A 27 27 GLN H H 26 7.283 7.938 -0.655 1
1 336 . 15 1 1 A 27 27 GLN HA H 26 3.888 4.357 -0.469 1
1 343 . 15 1 1 A 27 27 GLN C C 26 176.088 175.869 0.219 1
1 344 . 15 1 1 A 27 27 GLN CA C 26 57.676 57.135 0.541 1
1 345 . 15 1 1 A 27 27 GLN CB C 26 30.382 30.323 0.059 1
1 348 . 15 1 1 A 27 27 GLN N N 26 116.373 117.794 -1.421 1
1 350 . 15 1 1 A 28 28 HIS H H 27 8.223 8.609 -0.386 1
1 351 . 15 1 1 A 28 28 HIS HA H 27 4.941 5.046 -0.105 1
1 356 . 15 1 1 A 28 28 HIS CA C 27 53.278 53.149 0.129 1
1 357 . 15 1 1 A 28 28 HIS CB C 27 30.933 29.836 1.097 1
1 360 . 15 1 1 A 28 28 HIS N N 27 115.408 116.284 -0.876 1
1 361 . 15 1 1 A 29 29 PRO HA H 28 4.562 4.337 0.225 1
1 368 . 15 1 1 A 29 29 PRO C C 28 178.046 177.654 0.392 1
1 369 . 15 1 1 A 29 29 PRO CA C 28 64.821 64.605 0.216 1
1 370 . 15 1 1 A 29 29 PRO CB C 28 32.447 32.087 0.360 1
1 373 . 15 1 1 A 30 30 THR H H 29 7.820 7.792 0.028 1
1 374 . 15 1 1 A 30 30 THR HA H 29 4.583 4.348 0.235 1
1 379 . 15 1 1 A 30 30 THR C C 29 172.723 173.336 -0.613 1
1 380 . 15 1 1 A 30 30 THR CA C 29 60.826 61.361 -0.535 1
1 381 . 15 1 1 A 30 30 THR CB C 29 68.641 68.781 -0.140 1
1 383 . 15 1 1 A 30 30 THR N N 29 106.682 107.814 -1.132 1
1 384 . 15 1 1 A 31 31 LYS H H 30 7.453 7.499 -0.046 1
1 385 . 15 1 1 A 31 31 LYS HA H 30 4.850 4.773 0.077 1
1 394 . 15 1 1 A 31 31 LYS C C 30 174.296 174.742 -0.446 1
1 395 . 15 1 1 A 31 31 LYS CA C 30 53.944 54.697 -0.753 1
1 396 . 15 1 1 A 31 31 LYS CB C 30 36.098 37.232 -1.134 1
1 400 . 15 1 1 A 31 31 LYS N N 30 117.809 120.526 -2.717 1
1 401 . 15 1 1 A 32 32 ILE H H 31 9.265 9.433 -0.168 1
1 402 . 15 1 1 A 32 32 ILE HA H 31 4.106 4.167 -0.061 1
1 412 . 15 1 1 A 32 32 ILE CA C 31 54.606 57.645 -3.039 1
1 413 . 15 1 1 A 32 32 ILE CB C 31 38.448 38.528 -0.080 1
1 417 . 15 1 1 A 32 32 ILE N N 31 122.497 122.401 0.096 1
1 418 . 15 1 1 A 33 33 PRO HA H 32 5.252 4.872 0.380 1
1 425 . 15 1 1 A 33 33 PRO C C 32 174.652 176.703 -2.051 1
1 426 . 15 1 1 A 33 33 PRO CA C 32 61.704 62.469 -0.765 1
1 427 . 15 1 1 A 33 33 PRO CB C 32 31.873 32.001 -0.128 1
1 430 . 15 1 1 A 34 34 VAL H H 33 9.359 8.172 1.187 1
1 431 . 15 1 1 A 34 34 VAL HA H 33 5.298 5.179 0.119 1
1 439 . 15 1 1 A 34 34 VAL C C 33 173.633 174.785 -1.152 1
1 440 . 15 1 1 A 34 34 VAL CA C 33 59.830 59.496 0.334 1
1 441 . 15 1 1 A 34 34 VAL CB C 33 36.154 36.258 -0.104 1
1 444 . 15 1 1 A 34 34 VAL N N 33 124.496 116.495 8.001 1
1 445 . 15 1 1 A 35 35 ILE H H 34 8.667 8.870 -0.203 1
1 446 . 15 1 1 A 35 35 ILE HA H 34 4.867 4.651 0.216 1
1 456 . 15 1 1 A 35 35 ILE C C 34 175.770 174.781 0.989 1
1 457 . 15 1 1 A 35 35 ILE CA C 34 56.320 60.457 -4.137 1
1 458 . 15 1 1 A 35 35 ILE CB C 34 36.909 39.605 -2.696 1
1 462 . 15 1 1 A 35 35 ILE N N 34 127.447 121.766 5.681 1
1 463 . 15 1 1 A 36 36 ILE H H 35 8.422 8.685 -0.263 1
1 464 . 15 1 1 A 36 36 ILE HA H 35 4.890 5.221 -0.331 1
1 474 . 15 1 1 A 36 36 ILE C C 35 175.098 175.504 -0.406 1
1 475 . 15 1 1 A 36 36 ILE CA C 35 60.806 60.219 0.587 1
1 476 . 15 1 1 A 36 36 ILE CB C 35 39.357 38.732 0.625 1
1 480 . 15 1 1 A 36 36 ILE N N 35 124.267 128.705 -4.438 1
1 481 . 15 1 1 A 37 37 GLU H H 36 8.335 8.714 -0.379 1
1 482 . 15 1 1 A 37 37 GLU HA H 36 4.820 4.806 0.014 1
1 487 . 15 1 1 A 37 37 GLU C C 36 173.502 175.498 -1.996 1
1 488 . 15 1 1 A 37 37 GLU CA C 36 54.214 54.043 0.171 1
1 489 . 15 1 1 A 37 37 GLU CB C 36 35.547 33.378 2.169 1
1 491 . 15 1 1 A 37 37 GLU N N 36 123.296 125.799 -2.503 1
1 492 . 15 1 1 A 38 38 ARG H H 37 8.891 8.170 0.721 1
1 493 . 15 1 1 A 38 38 ARG HA H 37 2.755 3.724 -0.969 1
1 501 . 15 1 1 A 38 38 ARG C C 37 176.165 175.453 0.712 1
1 502 . 15 1 1 A 38 38 ARG CA C 37 56.235 55.957 0.278 1
1 503 . 15 1 1 A 38 38 ARG CB C 37 31.328 30.576 0.752 1
1 507 . 15 1 1 A 38 38 ARG N N 37 123.143 121.828 1.315 1
1 509 . 15 1 1 A 39 39 TYR H H 38 8.681 7.899 0.782 1
1 510 . 15 1 1 A 39 39 TYR HA H 38 4.331 4.460 -0.129 1
1 517 . 15 1 1 A 39 39 TYR C C 38 177.064 175.758 1.306 1
1 518 . 15 1 1 A 39 39 TYR CA C 38 57.769 58.946 -1.177 1
1 519 . 15 1 1 A 39 39 TYR CB C 38 39.552 39.012 0.540 1
1 522 . 15 1 1 A 39 39 TYR N N 38 128.699 123.022 5.677 1
1 523 . 15 1 1 A 40 40 LYS H H 39 8.454 8.185 0.269 1
1 524 . 15 1 1 A 40 40 LYS HA H 39 3.841 3.702 0.139 1
1 533 . 15 1 1 A 40 40 LYS C C 39 176.290 177.132 -0.842 1
1 534 . 15 1 1 A 40 40 LYS CA C 39 58.772 57.883 0.889 1
1 535 . 15 1 1 A 40 40 LYS CB C 39 31.738 31.590 0.148 1
1 539 . 15 1 1 A 40 40 LYS N N 39 130.022 125.785 4.237 1
1 540 . 15 1 1 A 41 41 GLY H H 40 5.457 9.017 -3.560 1
1 541 . 15 1 1 A 41 41 GLY HA2 H 40 3.306 4.009 -0.703 1
1 542 . 15 1 1 A 41 41 GLY HA3 H 40 3.999 4.105 -0.106 1
1 543 . 15 1 1 A 41 41 GLY C C 40 173.426 174.064 -0.638 1
1 544 . 15 1 1 A 41 41 GLY CA C 40 44.673 45.473 -0.800 1
1 545 . 15 1 1 A 41 41 GLY N N 40 104.628 112.862 -8.234 1
1 546 . 15 1 1 A 42 42 GLU H H 41 7.440 8.200 -0.760 1
1 547 . 15 1 1 A 42 42 GLU HA H 41 4.278 4.627 -0.349 1
1 552 . 15 1 1 A 42 42 GLU C C 41 176.306 176.550 -0.244 1
1 553 . 15 1 1 A 42 42 GLU CA C 41 56.358 55.252 1.106 1
1 554 . 15 1 1 A 42 42 GLU CB C 41 31.014 30.959 0.055 1
1 556 . 15 1 1 A 42 42 GLU N N 41 122.648 120.710 1.938 1
1 557 . 15 1 1 A 43 43 LYS H H 42 8.912 8.415 0.497 1
1 558 . 15 1 1 A 43 43 LYS HA H 42 4.680 4.585 0.095 1
1 567 . 15 1 1 A 43 43 LYS C C 42 177.063 178.254 -1.191 1
1 568 . 15 1 1 A 43 43 LYS CA C 42 55.652 56.811 -1.159 1
1 569 . 15 1 1 A 43 43 LYS CB C 42 34.871 34.164 0.707 1
1 573 . 15 1 1 A 43 43 LYS N N 42 123.569 123.259 0.310 1
1 574 . 15 1 1 A 44 44 GLN H H 43 8.446 8.074 0.372 1
1 575 . 15 1 1 A 44 44 GLN HA H 43 4.545 4.031 0.514 1
1 582 . 15 1 1 A 44 44 GLN C C 43 177.152 177.183 -0.031 1
1 583 . 15 1 1 A 44 44 GLN CA C 43 57.561 59.126 -1.565 1
1 584 . 15 1 1 A 44 44 GLN CB C 43 30.671 28.670 2.001 1
1 587 . 15 1 1 A 44 44 GLN N N 43 118.990 118.496 0.494 1
1 589 . 15 1 1 A 45 45 LEU H H 44 9.043 8.034 1.009 1
1 590 . 15 1 1 A 45 45 LEU HA H 44 4.716 4.467 0.249 1
1 600 . 15 1 1 A 45 45 LEU CA C 44 53.078 53.963 -0.885 1
1 601 . 15 1 1 A 45 45 LEU CB C 44 43.614 41.246 2.368 1
1 605 . 15 1 1 A 45 45 LEU N N 44 120.375 120.199 0.176 1
1 606 . 15 1 1 A 46 46 PRO HA H 45 4.723 4.651 0.072 1
1 613 . 15 1 1 A 46 46 PRO C C 45 175.883 176.118 -0.235 1
1 614 . 15 1 1 A 46 46 PRO CA C 45 62.005 62.259 -0.254 1
1 615 . 15 1 1 A 46 46 PRO CB C 45 32.609 32.345 0.264 1
1 618 . 15 1 1 A 47 47 VAL H H 46 8.437 8.525 -0.088 1
1 619 . 15 1 1 A 47 47 VAL HA H 46 3.914 4.441 -0.527 1
1 627 . 15 1 1 A 47 47 VAL C C 46 175.367 175.785 -0.418 1
1 628 . 15 1 1 A 47 47 VAL CA C 46 62.700 61.800 0.900 1
1 629 . 15 1 1 A 47 47 VAL CB C 46 32.927 31.716 1.211 1
1 632 . 15 1 1 A 47 47 VAL N N 46 118.440 121.459 -3.019 1
1 633 . 15 1 1 A 48 48 LEU H H 47 7.863 8.444 -0.581 1
1 634 . 15 1 1 A 48 48 LEU HA H 47 4.384 4.116 0.268 1
1 644 . 15 1 1 A 48 48 LEU C C 47 176.088 177.913 -1.825 1
1 645 . 15 1 1 A 48 48 LEU CA C 47 54.851 56.014 -1.163 1
1 646 . 15 1 1 A 48 48 LEU CB C 47 43.841 44.143 -0.302 1
1 650 . 15 1 1 A 48 48 LEU N N 47 129.127 129.191 -0.064 1
1 651 . 15 1 1 A 49 49 ASP H H 48 8.699 8.846 -0.147 1
1 652 . 15 1 1 A 49 49 ASP HA H 48 4.293 4.396 -0.103 1
1 655 . 15 1 1 A 49 49 ASP C C 48 175.121 175.706 -0.585 1
1 656 . 15 1 1 A 49 49 ASP CA C 48 55.717 57.215 -1.498 1
1 657 . 15 1 1 A 49 49 ASP CB C 48 40.260 41.149 -0.889 1
1 658 . 15 1 1 A 49 49 ASP N N 48 121.389 125.239 -3.850 1
1 659 . 15 1 1 A 50 50 LYS H H 49 7.251 7.409 -0.158 1
1 660 . 15 1 1 A 50 50 LYS HA H 49 4.540 4.515 0.025 1
1 669 . 15 1 1 A 50 50 LYS C C 49 174.664 174.978 -0.314 1
1 670 . 15 1 1 A 50 50 LYS CA C 49 53.211 55.281 -2.070 1
1 671 . 15 1 1 A 50 50 LYS CB C 49 35.514 34.507 1.007 1
1 675 . 15 1 1 A 50 50 LYS N N 49 118.260 113.115 5.145 1
1 676 . 15 1 1 A 51 51 THR H H 50 8.162 8.191 -0.029 1
1 677 . 15 1 1 A 51 51 THR HA H 50 4.685 4.684 0.001 1
1 682 . 15 1 1 A 51 51 THR C C 50 171.631 174.644 -3.013 1
1 683 . 15 1 1 A 51 51 THR CA C 50 63.581 63.123 0.458 1
1 684 . 15 1 1 A 51 51 THR CB C 50 71.587 70.358 1.229 1
1 686 . 15 1 1 A 51 51 THR N N 50 112.535 114.060 -1.525 1
1 687 . 15 1 1 A 52 52 LYS H H 51 6.971 7.512 -0.541 1
1 688 . 15 1 1 A 52 52 LYS HA H 51 4.443 4.843 -0.400 1
1 697 . 15 1 1 A 52 52 LYS C C 51 175.417 176.223 -0.806 1
1 698 . 15 1 1 A 52 52 LYS CA C 51 55.209 55.597 -0.388 1
1 699 . 15 1 1 A 52 52 LYS CB C 51 33.309 34.055 -0.746 1
1 703 . 15 1 1 A 52 52 LYS N N 51 120.227 118.614 1.613 1
1 704 . 15 1 1 A 53 53 PHE H H 52 9.688 8.892 0.796 1
1 705 . 15 1 1 A 53 53 PHE HA H 52 5.675 4.949 0.726 1
1 712 . 15 1 1 A 53 53 PHE C C 52 174.348 174.650 -0.302 1
1 713 . 15 1 1 A 53 53 PHE CA C 52 56.625 56.664 -0.039 1
1 714 . 15 1 1 A 53 53 PHE CB C 52 43.109 43.336 -0.227 1
1 716 . 15 1 1 A 53 53 PHE N N 52 124.646 121.156 3.490 1
1 717 . 15 1 1 A 54 54 LEU H H 53 8.470 9.083 -0.613 1
1 718 . 15 1 1 A 54 54 LEU HA H 53 5.044 4.799 0.245 1
1 728 . 15 1 1 A 54 54 LEU C C 53 176.144 175.641 0.503 1
1 729 . 15 1 1 A 54 54 LEU CA C 53 52.954 53.221 -0.267 1
1 730 . 15 1 1 A 54 54 LEU CB C 53 45.081 42.553 2.528 1
1 734 . 15 1 1 A 54 54 LEU N N 53 119.430 123.571 -4.141 1
1 735 . 15 1 1 A 55 55 VAL H H 54 8.802 8.644 0.158 1
1 736 . 15 1 1 A 55 55 VAL HA H 54 4.640 4.570 0.070 1
1 744 . 15 1 1 A 55 55 VAL CA C 54 58.549 59.086 -0.537 1
1 745 . 15 1 1 A 55 55 VAL CB C 54 35.342 32.205 3.137 1
1 748 . 15 1 1 A 55 55 VAL N N 54 123.841 125.878 -2.037 1
1 749 . 15 1 1 A 56 56 PRO HA H 55 4.439 4.680 -0.241 1
1 756 . 15 1 1 A 56 56 PRO C C 55 176.666 176.461 0.205 1
1 757 . 15 1 1 A 56 56 PRO CA C 55 64.256 62.612 1.644 1
1 758 . 15 1 1 A 56 56 PRO CB C 55 32.783 32.439 0.344 1
1 761 . 15 1 1 A 57 57 ASP H H 56 8.412 7.844 0.568 1
1 762 . 15 1 1 A 57 57 ASP HA H 56 3.848 4.623 -0.775 1
1 765 . 15 1 1 A 57 57 ASP C C 56 175.417 176.653 -1.236 1
1 766 . 15 1 1 A 57 57 ASP CA C 56 56.616 53.819 2.797 1
1 767 . 15 1 1 A 57 57 ASP CB C 56 40.410 40.259 0.151 1
1 768 . 15 1 1 A 57 57 ASP N N 56 120.415 122.095 -1.680 1
1 769 . 15 1 1 A 58 58 HIS H H 57 7.373 8.022 -0.649 1
1 770 . 15 1 1 A 58 58 HIS HA H 57 4.770 4.872 -0.102 1
1 775 . 15 1 1 A 58 58 HIS C C 57 176.594 174.090 2.504 1
1 776 . 15 1 1 A 58 58 HIS CA C 57 55.584 55.153 0.431 1
1 777 . 15 1 1 A 58 58 HIS CB C 57 30.628 31.336 -0.708 1
1 780 . 15 1 1 A 58 58 HIS N N 57 113.439 114.471 -1.032 1
1 781 . 15 1 1 A 59 59 VAL H H 58 7.249 7.708 -0.459 1
1 782 . 15 1 1 A 59 59 VAL HA H 58 3.903 4.802 -0.899 1
1 790 . 15 1 1 A 59 59 VAL C C 58 175.014 173.744 1.270 1
1 791 . 15 1 1 A 59 59 VAL CA C 58 62.726 59.058 3.668 1
1 792 . 15 1 1 A 59 59 VAL CB C 58 32.190 36.532 -4.342 1
1 795 . 15 1 1 A 59 59 VAL N N 58 122.597 115.782 6.815 1
1 796 . 15 1 1 A 60 60 ASN H H 59 8.677 8.383 0.294 1
1 797 . 15 1 1 A 60 60 ASN HA H 59 5.187 5.184 0.003 1
1 802 . 15 1 1 A 60 60 ASN C C 59 176.477 177.038 -0.561 1
1 803 . 15 1 1 A 60 60 ASN CA C 59 51.181 51.349 -0.168 1
1 804 . 15 1 1 A 60 60 ASN CB C 59 39.947 41.078 -1.131 1
1 806 . 15 1 1 A 60 60 ASN N N 59 122.962 119.064 3.898 1
1 808 . 15 1 1 A 61 61 MET H H 60 8.038 8.713 -0.675 1
1 809 . 15 1 1 A 61 61 MET HA H 60 4.426 4.189 0.237 1
1 817 . 15 1 1 A 61 61 MET C C 60 177.996 178.372 -0.376 1
1 818 . 15 1 1 A 61 61 MET CA C 60 57.118 58.442 -1.324 1
1 819 . 15 1 1 A 61 61 MET CB C 60 29.998 32.157 -2.159 1
1 822 . 15 1 1 A 61 61 MET N N 60 116.814 120.803 -3.989 1
1 823 . 15 1 1 A 62 62 SER H H 61 8.401 8.260 0.141 1
1 824 . 15 1 1 A 62 62 SER HA H 61 4.132 4.126 0.006 1
1 827 . 15 1 1 A 62 62 SER C C 61 177.255 177.111 0.144 1
1 828 . 15 1 1 A 62 62 SER CA C 61 61.559 61.485 0.074 1
1 829 . 15 1 1 A 62 62 SER CB C 61 62.430 63.226 -0.796 1
1 830 . 15 1 1 A 62 62 SER N N 61 114.109 116.026 -1.917 1
1 831 . 15 1 1 A 63 63 GLU H H 62 8.014 8.522 -0.508 1
1 832 . 15 1 1 A 63 63 GLU HA H 62 4.016 4.011 0.005 1
1 837 . 15 1 1 A 63 63 GLU C C 62 178.327 179.022 -0.695 1
1 838 . 15 1 1 A 63 63 GLU CA C 62 58.787 59.301 -0.514 1
1 839 . 15 1 1 A 63 63 GLU CB C 62 29.814 29.203 0.611 1
1 841 . 15 1 1 A 63 63 GLU N N 62 122.806 121.671 1.135 1
1 842 . 15 1 1 A 64 64 LEU H H 63 8.254 8.166 0.088 1
1 843 . 15 1 1 A 64 64 LEU HA H 63 3.932 4.032 -0.100 1
1 853 . 15 1 1 A 64 64 LEU C C 63 178.029 178.773 -0.744 1
1 854 . 15 1 1 A 64 64 LEU CA C 63 57.986 57.762 0.224 1
1 855 . 15 1 1 A 64 64 LEU CB C 63 41.377 41.843 -0.466 1
1 859 . 15 1 1 A 64 64 LEU N N 63 120.526 121.867 -1.341 1
1 860 . 15 1 1 A 65 65 ILE H H 64 8.415 8.482 -0.067 1
1 861 . 15 1 1 A 65 65 ILE HA H 64 3.377 3.835 -0.458 1
1 871 . 15 1 1 A 65 65 ILE C C 64 177.078 178.188 -1.110 1
1 872 . 15 1 1 A 65 65 ILE CA C 64 66.699 64.483 2.216 1
1 873 . 15 1 1 A 65 65 ILE CB C 64 38.128 37.566 0.562 1
1 877 . 15 1 1 A 65 65 ILE N N 64 118.349 119.340 -0.991 1
1 878 . 15 1 1 A 66 66 LYS H H 65 7.366 8.117 -0.751 1
1 879 . 15 1 1 A 66 66 LYS HA H 65 3.696 3.982 -0.286 1
1 888 . 15 1 1 A 66 66 LYS C C 65 179.260 179.127 0.133 1
1 889 . 15 1 1 A 66 66 LYS CA C 65 60.593 59.907 0.686 1
1 890 . 15 1 1 A 66 66 LYS CB C 65 32.421 32.434 -0.013 1
1 894 . 15 1 1 A 66 66 LYS N N 65 118.334 119.204 -0.870 1
1 895 . 15 1 1 A 67 67 ILE H H 66 8.179 8.212 -0.033 1
1 896 . 15 1 1 A 67 67 ILE HA H 66 3.546 3.669 -0.123 1
1 906 . 15 1 1 A 67 67 ILE C C 66 178.784 177.736 1.048 1
1 907 . 15 1 1 A 67 67 ILE CA C 66 65.488 65.380 0.108 1
1 908 . 15 1 1 A 67 67 ILE CB C 66 38.593 37.999 0.594 1
1 912 . 15 1 1 A 67 67 ILE N N 66 119.791 119.992 -0.201 1
1 913 . 15 1 1 A 68 68 ILE H H 67 8.279 8.491 -0.212 1
1 914 . 15 1 1 A 68 68 ILE HA H 67 3.391 3.511 -0.120 1
1 924 . 15 1 1 A 68 68 ILE C C 67 177.403 177.842 -0.439 1
1 925 . 15 1 1 A 68 68 ILE CA C 67 63.144 65.124 -1.980 1
1 926 . 15 1 1 A 68 68 ILE CB C 67 35.269 37.697 -2.428 1
1 930 . 15 1 1 A 68 68 ILE N N 67 120.267 120.324 -0.057 1
1 931 . 15 1 1 A 69 69 ARG H H 68 8.454 7.972 0.482 1
1 932 . 15 1 1 A 69 69 ARG HA H 68 2.966 3.191 -0.225 1
1 939 . 15 1 1 A 69 69 ARG C C 68 178.385 177.910 0.475 1
1 940 . 15 1 1 A 69 69 ARG CA C 68 60.642 58.332 2.310 1
1 941 . 15 1 1 A 69 69 ARG CB C 68 30.442 29.877 0.565 1
1 944 . 15 1 1 A 69 69 ARG N N 68 118.881 120.203 -1.322 1
1 945 . 15 1 1 A 70 70 ARG H H 69 7.492 7.725 -0.233 1
1 946 . 15 1 1 A 70 70 ARG HA H 69 4.164 4.055 0.109 1
1 954 . 15 1 1 A 70 70 ARG C C 69 180.253 178.555 1.698 1
1 955 . 15 1 1 A 70 70 ARG CA C 69 58.510 59.425 -0.915 1
1 956 . 15 1 1 A 70 70 ARG CB C 69 29.587 29.793 -0.206 1
1 960 . 15 1 1 A 70 70 ARG N N 69 116.411 119.554 -3.143 1
1 962 . 15 1 1 A 71 71 ARG H H 70 8.086 8.107 -0.021 1
1 963 . 15 1 1 A 71 71 ARG HA H 70 4.025 4.040 -0.015 1
1 970 . 15 1 1 A 71 71 ARG C C 70 178.558 178.864 -0.306 1
1 971 . 15 1 1 A 71 71 ARG CA C 70 59.428 59.115 0.313 1
1 972 . 15 1 1 A 71 71 ARG CB C 70 30.235 30.276 -0.041 1
1 975 . 15 1 1 A 71 71 ARG N N 70 122.779 119.064 3.715 1
1 976 . 15 1 1 A 72 72 LEU H H 71 7.755 7.581 0.174 1
1 977 . 15 1 1 A 72 72 LEU HA H 71 4.081 4.080 0.001 1
1 987 . 15 1 1 A 72 72 LEU C C 71 174.852 176.458 -1.606 1
1 988 . 15 1 1 A 72 72 LEU CA C 71 55.060 55.483 -0.423 1
1 989 . 15 1 1 A 72 72 LEU CB C 71 43.109 41.802 1.307 1
1 993 . 15 1 1 A 72 72 LEU N N 71 116.551 118.893 -2.342 1
1 994 . 15 1 1 A 73 73 GLN H H 72 7.740 7.520 0.220 1
1 995 . 15 1 1 A 73 73 GLN HA H 72 3.853 3.936 -0.083 1
1 1002 . 15 1 1 A 73 73 GLN C C 72 175.619 174.872 0.747 1
1 1003 . 15 1 1 A 73 73 GLN CA C 72 56.273 56.590 -0.317 1
1 1004 . 15 1 1 A 73 73 GLN CB C 72 25.939 26.301 -0.362 1
1 1007 . 15 1 1 A 73 73 GLN N N 72 114.737 117.884 -3.147 1
1 1009 . 15 1 1 A 74 74 LEU H H 73 7.525 7.407 0.118 1
1 1010 . 15 1 1 A 74 74 LEU HA H 73 4.242 4.393 -0.151 1
1 1020 . 15 1 1 A 74 74 LEU C C 73 178.611 175.547 3.064 1
1 1021 . 15 1 1 A 74 74 LEU CA C 73 54.382 54.476 -0.094 1
1 1022 . 15 1 1 A 74 74 LEU CB C 73 41.995 42.069 -0.074 1
1 1026 . 15 1 1 A 74 74 LEU N N 73 114.861 120.745 -5.884 1
1 1027 . 15 1 1 A 75 75 ASN H H 74 8.970 8.588 0.382 1
1 1028 . 15 1 1 A 75 75 ASN HA H 74 4.694 5.066 -0.372 1
1 1033 . 15 1 1 A 75 75 ASN C C 74 176.527 176.002 0.525 1
1 1034 . 15 1 1 A 75 75 ASN CA C 74 52.686 51.458 1.228 1
1 1035 . 15 1 1 A 75 75 ASN CB C 74 39.583 41.418 -1.835 1
1 1037 . 15 1 1 A 75 75 ASN N N 74 121.274 116.569 4.705 1
1 1039 . 15 1 1 A 76 76 ALA H H 75 8.697 8.722 -0.025 1
1 1040 . 15 1 1 A 76 76 ALA HA H 75 3.966 4.057 -0.091 1
1 1044 . 15 1 1 A 76 76 ALA C C 75 178.002 179.075 -1.073 1
1 1045 . 15 1 1 A 76 76 ALA CA C 75 54.797 54.505 0.292 1
1 1046 . 15 1 1 A 76 76 ALA CB C 75 18.669 18.428 0.241 1
1 1047 . 15 1 1 A 76 76 ALA N N 75 123.590 122.104 1.486 1
1 1048 . 15 1 1 A 77 77 ASN H H 76 8.344 8.062 0.282 1
1 1049 . 15 1 1 A 77 77 ASN HA H 76 4.585 4.514 0.071 1
1 1054 . 15 1 1 A 77 77 ASN C C 76 175.371 175.441 -0.070 1
1 1055 . 15 1 1 A 77 77 ASN CA C 76 53.183 55.397 -2.214 1
1 1056 . 15 1 1 A 77 77 ASN CB C 76 38.277 38.643 -0.366 1
1 1058 . 15 1 1 A 77 77 ASN N N 76 112.004 116.218 -4.214 1
1 1060 . 15 1 1 A 78 78 GLN H H 77 7.532 7.317 0.215 1
1 1061 . 15 1 1 A 78 78 GLN HA H 77 4.281 4.649 -0.368 1
1 1068 . 15 1 1 A 78 78 GLN C C 77 175.001 174.703 0.298 1
1 1069 . 15 1 1 A 78 78 GLN CA C 77 55.875 55.227 0.648 1
1 1070 . 15 1 1 A 78 78 GLN CB C 77 30.227 30.282 -0.055 1
1 1073 . 15 1 1 A 78 78 GLN N N 77 120.237 119.087 1.150 1
1 1075 . 15 1 1 A 79 79 ALA H H 78 8.732 8.850 -0.118 1
1 1076 . 15 1 1 A 79 79 ALA HA H 78 4.183 5.149 -0.966 1
1 1080 . 15 1 1 A 79 79 ALA C C 78 176.367 176.238 0.129 1
1 1081 . 15 1 1 A 79 79 ALA CA C 78 52.798 50.486 2.312 1
1 1082 . 15 1 1 A 79 79 ALA CB C 78 20.051 21.050 -0.999 1
1 1083 . 15 1 1 A 79 79 ALA N N 78 130.399 128.922 1.477 1
1 1084 . 15 1 1 A 80 80 PHE H H 79 7.603 8.487 -0.884 1
1 1085 . 15 1 1 A 80 80 PHE HA H 79 4.449 5.217 -0.768 1
1 1093 . 15 1 1 A 80 80 PHE C C 79 171.709 173.120 -1.411 1
1 1094 . 15 1 1 A 80 80 PHE CA C 79 59.101 56.909 2.192 1
1 1095 . 15 1 1 A 80 80 PHE CB C 79 42.282 42.573 -0.291 1
1 1099 . 15 1 1 A 80 80 PHE N N 79 118.988 123.526 -4.538 1
1 1100 . 15 1 1 A 81 81 PHE H H 80 8.507 9.080 -0.573 1
1 1101 . 15 1 1 A 81 81 PHE HA H 80 4.421 4.488 -0.067 1
1 1109 . 15 1 1 A 81 81 PHE C C 80 172.644 173.904 -1.260 1
1 1110 . 15 1 1 A 81 81 PHE CA C 80 56.711 55.849 0.862 1
1 1111 . 15 1 1 A 81 81 PHE CB C 80 41.880 41.741 0.139 1
1 1115 . 15 1 1 A 81 81 PHE N N 80 126.042 124.994 1.048 1
1 1116 . 15 1 1 A 82 82 LEU H H 81 8.199 8.474 -0.275 1
1 1117 . 15 1 1 A 82 82 LEU HA H 81 4.883 4.871 0.012 1
1 1127 . 15 1 1 A 82 82 LEU C C 81 174.440 174.759 -0.319 1
1 1128 . 15 1 1 A 82 82 LEU CA C 81 53.153 54.286 -1.133 1
1 1129 . 15 1 1 A 82 82 LEU CB C 81 45.520 42.963 2.557 1
1 1133 . 15 1 1 A 82 82 LEU N N 81 121.512 126.428 -4.916 1
1 1134 . 15 1 1 A 83 83 LEU H H 82 9.349 9.660 -0.311 1
1 1135 . 15 1 1 A 83 83 LEU HA H 82 4.810 4.984 -0.174 1
1 1145 . 15 1 1 A 83 83 LEU C C 82 177.075 175.639 1.436 1
1 1146 . 15 1 1 A 83 83 LEU CA C 82 54.122 53.389 0.733 1
1 1147 . 15 1 1 A 83 83 LEU CB C 82 43.394 42.196 1.198 1
1 1151 . 15 1 1 A 83 83 LEU N N 82 125.253 128.824 -3.571 1
1 1152 . 15 1 1 A 84 84 VAL H H 83 8.681 9.064 -0.383 1
1 1153 . 15 1 1 A 84 84 VAL HA H 83 4.411 4.295 0.116 1
1 1161 . 15 1 1 A 84 84 VAL C C 83 175.797 176.104 -0.307 1
1 1162 . 15 1 1 A 84 84 VAL CA C 83 61.630 61.430 0.200 1
1 1163 . 15 1 1 A 84 84 VAL CB C 83 33.647 31.236 2.411 1
1 1166 . 15 1 1 A 84 84 VAL N N 83 123.543 125.190 -1.647 1
1 1167 . 15 1 1 A 85 85 ASN H H 84 9.622 9.543 0.079 1
1 1168 . 15 1 1 A 85 85 ASN HA H 84 4.399 4.747 -0.348 1
1 1173 . 15 1 1 A 85 85 ASN C C 84 175.042 174.976 0.066 1
1 1174 . 15 1 1 A 85 85 ASN CA C 84 54.610 54.233 0.377 1
1 1175 . 15 1 1 A 85 85 ASN CB C 84 37.927 36.920 1.007 1
1 1177 . 15 1 1 A 85 85 ASN N N 84 125.848 127.245 -1.397 1
1 1179 . 15 1 1 A 86 86 GLY H H 85 8.551 8.311 0.240 1
1 1180 . 15 1 1 A 86 86 GLY HA2 H 85 3.368 3.906 -0.538 1
1 1181 . 15 1 1 A 86 86 GLY HA3 H 85 4.064 3.919 0.145 1
1 1182 . 15 1 1 A 86 86 GLY C C 85 173.524 173.680 -0.156 1
1 1183 . 15 1 1 A 86 86 GLY CA C 85 45.588 45.281 0.307 1
1 1184 . 15 1 1 A 86 86 GLY N N 85 101.093 104.235 -3.142 1
1 1185 . 15 1 1 A 87 87 HIS H H 86 7.906 7.347 0.559 1
1 1186 . 15 1 1 A 87 87 HIS HA H 86 5.003 5.229 -0.226 1
1 1191 . 15 1 1 A 87 87 HIS C C 86 173.910 174.327 -0.417 1
1 1192 . 15 1 1 A 87 87 HIS CA C 86 54.213 53.634 0.579 1
1 1193 . 15 1 1 A 87 87 HIS CB C 86 31.482 32.872 -1.390 1
1 1196 . 15 1 1 A 87 87 HIS N N 86 117.253 115.907 1.346 1
1 1197 . 15 1 1 A 88 88 SER H H 87 8.846 9.046 -0.200 1
1 1198 . 15 1 1 A 88 88 SER HA H 87 4.702 4.501 0.201 1
1 1201 . 15 1 1 A 88 88 SER C C 87 175.739 175.264 0.475 1
1 1202 . 15 1 1 A 88 88 SER CA C 87 58.245 58.190 0.055 1
1 1203 . 15 1 1 A 88 88 SER CB C 87 63.764 64.884 -1.120 1
1 1204 . 15 1 1 A 88 88 SER N N 87 117.469 115.541 1.928 1
1 1205 . 15 1 1 A 89 89 MET H H 88 9.174 8.466 0.708 1
1 1206 . 15 1 1 A 89 89 MET HA H 88 4.820 4.934 -0.114 1
1 1214 . 15 1 1 A 89 89 MET C C 88 176.294 177.102 -0.808 1
1 1215 . 15 1 1 A 89 89 MET CA C 88 54.853 54.055 0.798 1
1 1216 . 15 1 1 A 89 89 MET CB C 88 33.183 32.104 1.079 1
1 1219 . 15 1 1 A 89 89 MET N N 88 125.111 118.696 6.415 1
1 1220 . 15 1 1 A 90 90 VAL H H 89 8.217 7.777 0.440 1
1 1221 . 15 1 1 A 90 90 VAL HA H 89 4.063 3.770 0.293 1
1 1229 . 15 1 1 A 90 90 VAL C C 89 176.249 175.550 0.699 1
1 1230 . 15 1 1 A 90 90 VAL CA C 89 63.377 64.862 -1.485 1
1 1231 . 15 1 1 A 90 90 VAL CB C 89 32.473 31.647 0.826 1
1 1234 . 15 1 1 A 90 90 VAL N N 89 120.477 120.290 0.187 1
1 1235 . 15 1 1 A 91 91 SER H H 90 8.356 7.980 0.376 1
1 1236 . 15 1 1 A 91 91 SER HA H 90 4.614 4.999 -0.385 1
1 1239 . 15 1 1 A 91 91 SER C C 90 175.841 172.337 3.504 1
1 1240 . 15 1 1 A 91 91 SER CA C 90 57.860 57.685 0.175 1
1 1241 . 15 1 1 A 91 91 SER CB C 90 63.398 64.152 -0.754 1
1 1242 . 15 1 1 A 91 91 SER N N 90 116.676 115.320 1.356 1
1 1243 . 15 1 1 A 92 92 VAL H H 91 8.158 8.944 -0.786 1
1 1244 . 15 1 1 A 92 92 VAL HA H 91 4.245 4.685 -0.440 1
1 1252 . 15 1 1 A 92 92 VAL C C 91 175.856 175.496 0.360 1
1 1253 . 15 1 1 A 92 92 VAL CA C 91 63.121 61.449 1.672 1
1 1254 . 15 1 1 A 92 92 VAL CB C 91 31.872 32.904 -1.032 1
1 1257 . 15 1 1 A 92 92 VAL N N 91 119.994 127.934 -7.940 1
1 1258 . 15 1 1 A 93 93 SER H H 92 8.368 8.844 -0.476 1
1 1259 . 15 1 1 A 93 93 SER HA H 92 4.581 4.757 -0.176 1
1 1262 . 15 1 1 A 93 93 SER C C 92 174.154 173.553 0.601 1
1 1263 . 15 1 1 A 93 93 SER CA C 92 57.706 57.293 0.413 1
1 1264 . 15 1 1 A 93 93 SER CB C 92 63.126 64.174 -1.048 1
1 1265 . 15 1 1 A 93 93 SER N N 92 116.504 126.376 -9.872 1
1 1266 . 15 1 1 A 94 94 THR H H 93 7.427 7.516 -0.089 1
1 1267 . 15 1 1 A 94 94 THR HA H 93 4.464 4.648 -0.184 1
1 1272 . 15 1 1 A 94 94 THR CA C 93 61.032 59.210 1.822 1
1 1273 . 15 1 1 A 94 94 THR CB C 93 70.505 71.577 -1.072 1
1 1275 . 15 1 1 A 94 94 THR N N 93 119.172 115.790 3.382 1
1 1276 . 15 1 1 A 95 95 PRO HA H 94 4.426 4.717 -0.291 1
1 1283 . 15 1 1 A 95 95 PRO C C 94 178.692 177.976 0.716 1
1 1284 . 15 1 1 A 95 95 PRO CA C 94 62.921 62.681 0.240 1
1 1285 . 15 1 1 A 95 95 PRO CB C 94 32.774 32.615 0.159 1
1 1288 . 15 1 1 A 96 96 ILE H H 95 9.324 9.032 0.292 1
1 1289 . 15 1 1 A 96 96 ILE HA H 95 3.956 4.014 -0.058 1
1 1299 . 15 1 1 A 96 96 ILE C C 95 176.415 176.971 -0.556 1
1 1300 . 15 1 1 A 96 96 ILE CA C 95 63.880 63.510 0.370 1
1 1301 . 15 1 1 A 96 96 ILE CB C 95 38.055 38.053 0.002 1
1 1305 . 15 1 1 A 96 96 ILE N N 95 123.862 125.449 -1.587 1
1 1306 . 15 1 1 A 97 97 SER H H 96 8.211 8.307 -0.096 1
1 1307 . 15 1 1 A 97 97 SER HA H 96 3.978 4.143 -0.165 1
1 1310 . 15 1 1 A 97 97 SER C C 96 176.494 177.107 -0.613 1
1 1311 . 15 1 1 A 97 97 SER CA C 96 61.576 61.487 0.089 1
1 1312 . 15 1 1 A 97 97 SER CB C 96 61.262 62.416 -1.154 1
1 1313 . 15 1 1 A 97 97 SER N N 96 116.529 117.347 -0.818 1
1 1314 . 15 1 1 A 98 98 GLU H H 97 7.329 8.100 -0.771 1
1 1315 . 15 1 1 A 98 98 GLU HA H 97 4.290 4.310 -0.020 1
1 1320 . 15 1 1 A 98 98 GLU C C 97 179.288 178.726 0.562 1
1 1321 . 15 1 1 A 98 98 GLU CA C 97 58.705 59.198 -0.493 1
1 1322 . 15 1 1 A 98 98 GLU CB C 97 29.791 30.207 -0.416 1
1 1324 . 15 1 1 A 98 98 GLU N N 97 122.955 122.685 0.270 1
1 1325 . 15 1 1 A 99 99 VAL H H 98 7.386 8.538 -1.152 1
1 1326 . 15 1 1 A 99 99 VAL HA H 98 3.815 3.811 0.004 1
1 1334 . 15 1 1 A 99 99 VAL C C 98 177.662 178.119 -0.457 1
1 1335 . 15 1 1 A 99 99 VAL CA C 98 65.774 66.033 -0.259 1
1 1336 . 15 1 1 A 99 99 VAL CB C 98 32.047 31.755 0.292 1
1 1339 . 15 1 1 A 99 99 VAL N N 98 120.888 120.575 0.313 1
1 1340 . 15 1 1 A 100 100 TYR H H 99 8.984 7.675 1.309 1
1 1341 . 15 1 1 A 100 100 TYR HA H 99 4.013 4.301 -0.288 1
1 1348 . 15 1 1 A 100 100 TYR C C 99 176.355 178.044 -1.689 1
1 1349 . 15 1 1 A 100 100 TYR CA C 99 62.118 60.851 1.267 1
1 1350 . 15 1 1 A 100 100 TYR CB C 99 38.921 38.425 0.496 1
1 1353 . 15 1 1 A 100 100 TYR N N 99 118.874 120.958 -2.084 1
1 1354 . 15 1 1 A 101 101 GLU H H 100 7.433 8.655 -1.222 1
1 1355 . 15 1 1 A 101 101 GLU HA H 100 3.833 4.121 -0.288 1
1 1360 . 15 1 1 A 101 101 GLU C C 100 177.674 176.926 0.748 1
1 1361 . 15 1 1 A 101 101 GLU CA C 100 58.895 57.944 0.951 1
1 1362 . 15 1 1 A 101 101 GLU CB C 100 29.577 28.783 0.794 1
1 1364 . 15 1 1 A 101 101 GLU N N 100 114.383 117.993 -3.610 1
1 1365 . 15 1 1 A 102 102 SER H H 101 7.423 8.248 -0.825 1
1 1366 . 15 1 1 A 102 102 SER HA H 101 4.552 4.694 -0.142 1
1 1369 . 15 1 1 A 102 102 SER C C 101 176.554 175.007 1.547 1
1 1370 . 15 1 1 A 102 102 SER CA C 101 60.200 57.795 2.405 1
1 1371 . 15 1 1 A 102 102 SER CB C 101 64.828 63.993 0.835 1
1 1372 . 15 1 1 A 102 102 SER N N 101 108.722 114.912 -6.190 1
1 1373 . 15 1 1 A 103 103 GLU H H 102 8.488 7.771 0.717 1
1 1374 . 15 1 1 A 103 103 GLU HA H 102 4.752 4.497 0.255 1
1 1379 . 15 1 1 A 103 103 GLU C C 102 176.653 176.361 0.292 1
1 1380 . 15 1 1 A 103 103 GLU CA C 102 55.464 57.323 -1.859 1
1 1381 . 15 1 1 A 103 103 GLU CB C 102 30.611 32.260 -1.649 1
1 1383 . 15 1 1 A 103 103 GLU N N 102 116.116 120.191 -4.075 1
1 1384 . 15 1 1 A 104 104 ARG H H 103 7.511 7.717 -0.206 1
1 1385 . 15 1 1 A 104 104 ARG HA H 103 4.241 4.167 0.074 1
1 1392 . 15 1 1 A 104 104 ARG C C 103 174.634 175.886 -1.252 1
1 1393 . 15 1 1 A 104 104 ARG CA C 103 56.926 56.172 0.754 1
1 1394 . 15 1 1 A 104 104 ARG CB C 103 29.713 29.877 -0.164 1
1 1397 . 15 1 1 A 104 104 ARG N N 103 117.180 118.276 -1.096 1
1 1398 . 15 1 1 A 105 105 ASP H H 104 9.069 8.577 0.492 1
1 1399 . 15 1 1 A 105 105 ASP HA H 104 4.774 5.023 -0.249 1
1 1402 . 15 1 1 A 105 105 ASP C C 104 177.460 177.627 -0.167 1
1 1403 . 15 1 1 A 105 105 ASP CA C 104 53.852 52.057 1.795 1
1 1404 . 15 1 1 A 105 105 ASP CB C 104 43.424 42.187 1.237 1
1 1405 . 15 1 1 A 105 105 ASP N N 104 123.349 121.051 2.298 1
1 1406 . 15 1 1 A 106 106 GLU H H 105 8.982 8.860 0.122 1
1 1407 . 15 1 1 A 106 106 GLU HA H 105 4.199 4.000 0.199 1
1 1412 . 15 1 1 A 106 106 GLU C C 105 177.398 178.592 -1.194 1
1 1413 . 15 1 1 A 106 106 GLU CA C 105 59.413 59.612 -0.199 1
1 1414 . 15 1 1 A 106 106 GLU CB C 105 29.983 29.402 0.581 1
1 1416 . 15 1 1 A 106 106 GLU N N 105 125.197 118.108 7.089 1
1 1417 . 15 1 1 A 107 107 ASP H H 106 9.873 7.792 2.081 1
1 1418 . 15 1 1 A 107 107 ASP HA H 106 4.211 4.253 -0.042 1
1 1421 . 15 1 1 A 107 107 ASP C C 106 175.775 176.157 -0.382 1
1 1422 . 15 1 1 A 107 107 ASP CA C 106 54.698 55.078 -0.380 1
1 1423 . 15 1 1 A 107 107 ASP CB C 106 40.187 40.580 -0.393 1
1 1424 . 15 1 1 A 107 107 ASP N N 106 118.717 117.419 1.298 1
1 1425 . 15 1 1 A 108 108 GLY H H 107 7.971 8.217 -0.246 1
1 1426 . 15 1 1 A 108 108 GLY HA2 H 107 3.431 3.946 -0.515 1
1 1427 . 15 1 1 A 108 108 GLY HA3 H 107 4.526 3.982 0.544 1
1 1428 . 15 1 1 A 108 108 GLY C C 107 175.138 174.012 1.126 1
1 1429 . 15 1 1 A 108 108 GLY CA C 107 45.029 45.421 -0.392 1
1 1430 . 15 1 1 A 108 108 GLY N N 107 105.017 106.866 -1.849 1
1 1431 . 15 1 1 A 109 109 PHE H H 108 9.799 7.782 2.017 1
1 1432 . 15 1 1 A 109 109 PHE HA H 108 4.607 4.853 -0.246 1
1 1440 . 15 1 1 A 109 109 PHE C C 108 175.171 175.098 0.073 1
1 1441 . 15 1 1 A 109 109 PHE CA C 108 60.222 56.725 3.497 1
1 1442 . 15 1 1 A 109 109 PHE CB C 108 40.433 41.670 -1.237 1
1 1446 . 15 1 1 A 109 109 PHE N N 108 123.309 118.183 5.126 1
1 1447 . 15 1 1 A 110 110 LEU H H 109 8.061 8.541 -0.480 1
1 1448 . 15 1 1 A 110 110 LEU HA H 109 5.022 4.481 0.541 1
1 1458 . 15 1 1 A 110 110 LEU C C 109 174.033 175.759 -1.726 1
1 1459 . 15 1 1 A 110 110 LEU CA C 109 53.539 54.416 -0.877 1
1 1460 . 15 1 1 A 110 110 LEU CB C 109 45.284 42.953 2.331 1
1 1464 . 15 1 1 A 110 110 LEU N N 109 119.999 124.581 -4.582 1
1 1465 . 15 1 1 A 111 111 TYR H H 110 9.363 9.250 0.113 1
1 1466 . 15 1 1 A 111 111 TYR HA H 110 4.906 5.150 -0.244 1
1 1473 . 15 1 1 A 111 111 TYR C C 110 176.538 174.920 1.618 1
1 1474 . 15 1 1 A 111 111 TYR CA C 110 59.335 56.535 2.800 1
1 1475 . 15 1 1 A 111 111 TYR CB C 110 39.485 40.193 -0.708 1
1 1478 . 15 1 1 A 111 111 TYR N N 110 126.322 122.298 4.024 1
1 1479 . 15 1 1 A 112 112 MET H H 111 9.496 8.661 0.835 1
1 1480 . 15 1 1 A 112 112 MET HA H 111 5.522 5.531 -0.009 1
1 1488 . 15 1 1 A 112 112 MET C C 111 175.676 174.482 1.194 1
1 1489 . 15 1 1 A 112 112 MET CA C 111 54.216 54.459 -0.243 1
1 1490 . 15 1 1 A 112 112 MET CB C 111 36.821 36.390 0.431 1
1 1493 . 15 1 1 A 112 112 MET N N 111 119.003 123.925 -4.922 1
1 1494 . 15 1 1 A 113 113 VAL H H 112 8.749 9.047 -0.298 1
1 1495 . 15 1 1 A 113 113 VAL HA H 112 5.967 4.756 1.211 1
1 1503 . 15 1 1 A 113 113 VAL C C 112 174.893 175.413 -0.520 1
1 1504 . 15 1 1 A 113 113 VAL CA C 112 58.896 61.069 -2.173 1
1 1505 . 15 1 1 A 113 113 VAL CB C 112 36.149 33.255 2.894 1
1 1508 . 15 1 1 A 113 113 VAL N N 112 119.658 123.002 -3.344 1
1 1509 . 15 1 1 A 114 114 TYR H H 113 8.210 8.631 -0.421 1
1 1510 . 15 1 1 A 114 114 TYR HA H 113 6.141 5.931 0.210 1
1 1517 . 15 1 1 A 114 114 TYR C C 113 173.353 174.214 -0.861 1
1 1518 . 15 1 1 A 114 114 TYR CA C 113 54.161 55.151 -0.990 1
1 1519 . 15 1 1 A 114 114 TYR CB C 113 43.538 42.360 1.178 1
1 1522 . 15 1 1 A 114 114 TYR N N 113 118.947 124.852 -5.905 1
1 1523 . 15 1 1 A 115 115 ALA H H 114 8.483 8.713 -0.230 1
1 1524 . 15 1 1 A 115 115 ALA HA H 114 4.762 4.793 -0.031 1
1 1528 . 15 1 1 A 115 115 ALA C C 114 176.033 176.835 -0.802 1
1 1529 . 15 1 1 A 115 115 ALA CA C 114 51.223 51.329 -0.106 1
1 1530 . 15 1 1 A 115 115 ALA CB C 114 24.521 22.440 2.081 1
1 1531 . 15 1 1 A 115 115 ALA N N 114 119.557 122.008 -2.451 1
1 1532 . 15 1 1 A 116 116 SER H H 115 9.835 8.769 1.066 1
1 1533 . 15 1 1 A 116 116 SER HA H 115 4.497 4.966 -0.469 1
1 1536 . 15 1 1 A 116 116 SER C C 115 172.664 173.808 -1.144 1
1 1537 . 15 1 1 A 116 116 SER CA C 115 58.669 58.029 0.640 1
1 1538 . 15 1 1 A 116 116 SER CB C 115 63.570 63.450 0.120 1
1 1539 . 15 1 1 A 116 116 SER N N 115 114.435 114.586 -0.151 1
1 1540 . 15 1 1 A 117 117 GLN H H 116 7.180 7.521 -0.341 1
1 1541 . 15 1 1 A 117 117 GLN HA H 116 4.460 4.882 -0.422 1
1 1548 . 15 1 1 A 117 117 GLN C C 116 172.901 175.311 -2.410 1
1 1549 . 15 1 1 A 117 117 GLN CA C 116 53.974 54.520 -0.546 1
1 1550 . 15 1 1 A 117 117 GLN CB C 116 32.192 32.039 0.153 1
1 1553 . 15 1 1 A 117 117 GLN N N 116 116.449 117.346 -0.897 1
1 1555 . 15 1 1 A 118 118 GLU H H 117 7.878 8.910 -1.032 1
1 1556 . 15 1 1 A 118 118 GLU HA H 117 3.259 4.525 -1.266 1
1 1561 . 15 1 1 A 118 118 GLU C C 117 175.233 176.791 -1.558 1
1 1562 . 15 1 1 A 118 118 GLU CA C 117 56.890 56.686 0.204 1
1 1563 . 15 1 1 A 118 118 GLU CB C 117 30.325 30.500 -0.175 1
1 1565 . 15 1 1 A 118 118 GLU N N 117 117.687 122.883 -5.196 1
1 1566 . 15 1 1 A 119 119 THR H H 118 6.968 7.531 -0.563 1
1 1567 . 15 1 1 A 119 119 THR HA H 118 4.082 4.503 -0.421 1
1 1572 . 15 1 1 A 119 119 THR C C 118 173.134 174.714 -1.580 1
1 1573 . 15 1 1 A 119 119 THR CA C 118 60.123 59.658 0.465 1
1 1574 . 15 1 1 A 119 119 THR CB C 118 70.147 68.632 1.515 1
1 1576 . 15 1 1 A 119 119 THR N N 118 109.548 108.135 1.413 1
1 1577 . 15 1 1 A 120 120 PHE H H 119 8.138 7.785 0.353 1
1 1578 . 15 1 1 A 120 120 PHE HA H 119 4.436 4.447 -0.011 1
1 1586 . 15 1 1 A 120 120 PHE C C 119 174.902 177.179 -2.277 1
1 1587 . 15 1 1 A 120 120 PHE CA C 119 56.750 58.047 -1.297 1
1 1588 . 15 1 1 A 120 120 PHE CB C 119 39.411 39.452 -0.041 1
1 1592 . 15 1 1 A 120 120 PHE N N 119 121.777 120.960 0.817 1
1 1607 . 15 2 2 B 2 2 SER H H 332 8.471 8.234 0.237 1
1 1608 . 15 2 2 B 2 2 SER HA H 332 4.484 4.185 0.299 1
1 1611 . 15 2 2 B 2 2 SER C C 332 174.962 174.171 0.791 1
1 1612 . 15 2 2 B 2 2 SER CA C 332 88.436 58.927 29.509 1
1 1613 . 15 2 2 B 2 2 SER CB C 332 93.927 60.951 32.976 1
1 1614 . 15 2 2 B 2 2 SER N N 332 147.261 115.180 32.081 1
1 1615 . 15 2 2 B 3 3 GLY H H 333 8.601 8.525 0.076 1
1 1616 . 15 2 2 B 3 3 GLY HA2 H 333 4.022 3.879 0.143 1
1 1617 . 15 2 2 B 3 3 GLY HA3 H 333 4.022 3.882 0.140 1
1 1618 . 15 2 2 B 3 3 GLY C C 333 174.774 174.751 0.023 1
1 1619 . 15 2 2 B 3 3 GLY CA C 333 75.465 47.063 28.402 1
1 1620 . 15 2 2 B 3 3 GLY N N 333 141.077 108.753 32.324 1
1 1621 . 15 2 2 B 4 4 GLY H H 334 8.372 8.669 -0.297 1
1 1622 . 15 2 2 B 4 4 GLY HA2 H 334 3.980 3.866 0.114 1
1 1623 . 15 2 2 B 4 4 GLY HA3 H 334 3.980 3.875 0.105 1
1 1624 . 15 2 2 B 4 4 GLY C C 334 174.758 173.829 0.929 1
1 1625 . 15 2 2 B 4 4 GLY CA C 334 75.674 45.193 30.481 1
1 1626 . 15 2 2 B 4 4 GLY N N 334 138.894 106.789 32.105 1
1 1627 . 15 2 2 B 5 5 ASP H H 335 8.429 8.591 -0.162 1
1 1628 . 15 2 2 B 5 5 ASP HA H 335 4.610 5.029 -0.419 1
1 1631 . 15 2 2 B 5 5 ASP CA C 335 85.066 53.551 31.515 1
1 1632 . 15 2 2 B 5 5 ASP CB C 335 71.191 40.223 30.968 1
1 1633 . 15 2 2 B 5 5 ASP N N 335 149.637 119.039 30.598 1
1 1634 . 15 2 2 B 6 6 ASP H H 336 8.244 8.400 -0.156 1
1 1635 . 15 2 2 B 6 6 ASP HA H 336 4.559 4.947 -0.388 1
1 1638 . 15 2 2 B 6 6 ASP C C 336 175.432 174.991 0.441 1
1 1639 . 15 2 2 B 6 6 ASP CA C 336 84.708 53.449 31.259 1
1 1640 . 15 2 2 B 6 6 ASP CB C 336 71.552 40.176 31.376 1
1 1641 . 15 2 2 B 6 6 ASP N N 336 148.885 124.666 24.219 1
1 1642 . 15 2 2 B 7 7 ASP H H 337 7.803 8.269 -0.466 1
1 1643 . 15 2 2 B 7 7 ASP HA H 337 4.655 4.453 0.202 1
1 1646 . 15 2 2 B 7 7 ASP C C 337 175.362 175.753 -0.391 1
1 1647 . 15 2 2 B 7 7 ASP CA C 337 83.670 55.035 28.635 1
1 1648 . 15 2 2 B 7 7 ASP CB C 337 71.933 39.631 32.302 1
1 1649 . 15 2 2 B 7 7 ASP N N 337 149.563 114.643 34.920 1
1 1650 . 15 2 2 B 8 8 TRP H H 338 8.472 8.121 0.351 1
1 1651 . 15 2 2 B 8 8 TRP HA H 338 4.174 4.759 -0.585 1
1 1660 . 15 2 2 B 8 8 TRP C C 338 175.959 176.163 -0.204 1
1 1661 . 15 2 2 B 8 8 TRP CA C 338 87.020 57.417 29.603 1
1 1662 . 15 2 2 B 8 8 TRP CB C 338 61.223 30.239 30.984 1
1 1668 . 15 2 2 B 8 8 TRP N N 338 150.172 123.785 26.387 1
1 1670 . 15 2 2 B 9 9 THR H H 339 7.994 8.501 -0.507 1
1 1671 . 15 2 2 B 9 9 THR HA H 339 4.533 4.627 -0.094 1
1 1676 . 15 2 2 B 9 9 THR C C 339 174.035 173.478 0.557 1
1 1677 . 15 2 2 B 9 9 THR CA C 339 92.659 60.448 32.211 1
1 1678 . 15 2 2 B 9 9 THR CB C 339 99.436 70.991 28.445 1
1 1680 . 15 2 2 B 9 9 THR N N 339 149.503 115.781 33.722 1
1 1681 . 15 2 2 B 10 10 HIS H H 340 9.463 7.950 1.513 1
1 1682 . 15 2 2 B 10 10 HIS HA H 340 4.677 5.336 -0.659 1
1 1687 . 15 2 2 B 10 10 HIS C C 340 175.606 174.657 0.949 1
1 1688 . 15 2 2 B 10 10 HIS CA C 340 87.024 54.011 33.013 1
1 1689 . 15 2 2 B 10 10 HIS CB C 340 61.368 31.493 29.875 1
1 1692 . 15 2 2 B 10 10 HIS N N 340 159.135 122.353 36.782 1
1 1693 . 15 2 2 B 11 11 LEU H H 341 8.398 9.179 -0.781 1
1 1694 . 15 2 2 B 11 11 LEU HA H 341 4.848 4.777 0.071 1
1 1704 . 15 2 2 B 11 11 LEU C C 341 175.919 175.912 0.007 1
1 1705 . 15 2 2 B 11 11 LEU CA C 341 83.684 54.195 29.489 1
1 1706 . 15 2 2 B 11 11 LEU CB C 341 73.601 42.090 31.511 1
1 1710 . 15 2 2 B 11 11 LEU N N 341 153.300 125.971 27.329 1
1 1711 . 15 2 2 B 12 12 SER H H 342 8.382 9.177 -0.795 1
1 1712 . 15 2 2 B 12 12 SER HA H 342 4.652 5.025 -0.373 1
1 1715 . 15 2 2 B 12 12 SER C C 342 174.263 174.349 -0.086 1
1 1716 . 15 2 2 B 12 12 SER CA C 342 86.841 57.977 28.864 1
1 1717 . 15 2 2 B 12 12 SER CB C 342 95.113 64.254 30.859 1
1 1718 . 15 2 2 B 12 12 SER N N 342 144.018 123.624 20.394 1
1 1719 . 15 2 2 B 13 13 SER H H 343 8.937 9.008 -0.071 1
1 1720 . 15 2 2 B 13 13 SER HA H 343 4.291 4.648 -0.357 1
1 1723 . 15 2 2 B 13 13 SER C C 343 174.652 174.845 -0.193 1
1 1724 . 15 2 2 B 13 13 SER CA C 343 89.546 58.280 31.266 1
1 1725 . 15 2 2 B 13 13 SER CB C 343 93.470 63.308 30.162 1
1 1726 . 15 2 2 B 13 13 SER N N 343 148.575 121.174 27.401 1
1 1727 . 15 2 2 B 14 14 LYS H H 344 8.250 8.058 0.192 1
1 1728 . 15 2 2 B 14 14 LYS HA H 344 4.319 4.396 -0.077 1
1 1737 . 15 2 2 B 14 14 LYS C C 344 176.699 177.648 -0.949 1
1 1738 . 15 2 2 B 14 14 LYS CA C 344 86.716 57.641 29.075 1
1 1739 . 15 2 2 B 14 14 LYS CB C 344 62.831 33.868 28.963 1
1 1743 . 15 2 2 B 14 14 LYS N N 344 151.908 118.592 33.316 1
1 1744 . 15 2 2 B 15 15 GLU H H 345 8.256 7.785 0.471 1
1 1745 . 15 2 2 B 15 15 GLU HA H 345 4.240 4.422 -0.182 1
1 1750 . 15 2 2 B 15 15 GLU C C 345 176.152 176.214 -0.062 1
1 1751 . 15 2 2 B 15 15 GLU CA C 345 87.152 56.277 30.875 1
1 1752 . 15 2 2 B 15 15 GLU CB C 345 60.176 30.462 29.714 1
1 1754 . 15 2 2 B 15 15 GLU N N 345 150.679 118.150 32.529 1
1 1755 . 15 2 2 B 16 16 VAL H H 346 7.762 7.382 0.380 1
1 1756 . 15 2 2 B 16 16 VAL HA H 346 4.161 4.135 0.026 1
1 1764 . 15 2 2 B 16 16 VAL C C 346 174.646 175.216 -0.570 1
1 1765 . 15 2 2 B 16 16 VAL CA C 346 91.707 60.888 30.819 1
1 1766 . 15 2 2 B 16 16 VAL CB C 346 63.107 33.691 29.416 1
1 1769 . 15 2 2 B 16 16 VAL N N 346 146.718 117.280 29.438 1
1 9 . 16 1 1 A 2 2 MET H H 1 8.414 7.687 0.727 1
1 10 . 16 1 1 A 2 2 MET HA H 1 4.826 4.786 0.040 1
1 18 . 16 1 1 A 2 2 MET CA C 1 53.382 54.139 -0.757 1
1 19 . 16 1 1 A 2 2 MET CB C 1 32.478 32.861 -0.383 1
1 22 . 16 1 1 A 2 2 MET N N 1 122.882 121.158 1.724 1
1 23 . 16 1 1 A 3 3 PRO HA H 2 4.425 4.568 -0.143 1
1 30 . 16 1 1 A 3 3 PRO C C 2 176.847 175.965 0.882 1
1 31 . 16 1 1 A 3 3 PRO CA C 2 63.386 63.722 -0.336 1
1 32 . 16 1 1 A 3 3 PRO CB C 2 32.077 31.914 0.163 1
1 35 . 16 1 1 A 4 4 SER H H 3 8.347 7.858 0.489 1
1 36 . 16 1 1 A 4 4 SER HA H 3 4.391 4.663 -0.272 1
1 39 . 16 1 1 A 4 4 SER C C 3 174.643 173.444 1.199 1
1 40 . 16 1 1 A 4 4 SER CA C 3 58.336 56.896 1.440 1
1 41 . 16 1 1 A 4 4 SER CB C 3 63.798 63.862 -0.064 1
1 42 . 16 1 1 A 4 4 SER N N 3 115.234 113.898 1.336 1
1 43 . 16 1 1 A 5 5 GLU H H 4 8.472 8.536 -0.064 1
1 44 . 16 1 1 A 5 5 GLU HA H 4 4.297 4.216 0.081 1
1 49 . 16 1 1 A 5 5 GLU C C 4 176.352 176.548 -0.196 1
1 50 . 16 1 1 A 5 5 GLU CA C 4 56.572 56.609 -0.037 1
1 51 . 16 1 1 A 5 5 GLU CB C 4 30.285 30.331 -0.046 1
1 53 . 16 1 1 A 5 5 GLU N N 4 123.045 129.530 -6.485 1
1 54 . 16 1 1 A 6 6 LYS H H 5 8.214 8.319 -0.105 1
1 55 . 16 1 1 A 6 6 LYS HA H 5 4.500 4.285 0.215 1
1 64 . 16 1 1 A 6 6 LYS C C 5 177.243 176.126 1.117 1
1 65 . 16 1 1 A 6 6 LYS CA C 5 55.943 56.473 -0.530 1
1 66 . 16 1 1 A 6 6 LYS CB C 5 34.621 33.546 1.075 1
1 70 . 16 1 1 A 6 6 LYS N N 5 121.467 124.871 -3.404 1
1 71 . 16 1 1 A 7 7 THR H H 6 8.431 8.202 0.229 1
1 72 . 16 1 1 A 7 7 THR HA H 6 4.383 4.771 -0.388 1
1 77 . 16 1 1 A 7 7 THR C C 6 175.360 175.450 -0.090 1
1 78 . 16 1 1 A 7 7 THR CA C 6 61.124 58.811 2.313 1
1 79 . 16 1 1 A 7 7 THR CB C 6 69.863 71.244 -1.381 1
1 81 . 16 1 1 A 7 7 THR N N 6 114.691 111.286 3.405 1
1 82 . 16 1 1 A 8 8 PHE H H 7 10.194 8.717 1.477 1
1 83 . 16 1 1 A 8 8 PHE HA H 7 3.904 4.222 -0.318 1
1 88 . 16 1 1 A 8 8 PHE C C 7 177.000 177.372 -0.372 1
1 89 . 16 1 1 A 8 8 PHE CA C 7 63.388 60.793 2.595 1
1 90 . 16 1 1 A 8 8 PHE CB C 7 39.586 38.147 1.439 1
1 92 . 16 1 1 A 8 8 PHE N N 7 124.861 121.681 3.180 1
1 93 . 16 1 1 A 9 9 LYS H H 8 8.707 7.855 0.852 1
1 94 . 16 1 1 A 9 9 LYS HA H 8 3.761 4.231 -0.470 1
1 103 . 16 1 1 A 9 9 LYS C C 8 177.496 178.930 -1.434 1
1 104 . 16 1 1 A 9 9 LYS CA C 8 59.945 59.208 0.737 1
1 105 . 16 1 1 A 9 9 LYS CB C 8 33.870 32.141 1.729 1
1 109 . 16 1 1 A 9 9 LYS N N 8 114.189 119.827 -5.638 1
1 110 . 16 1 1 A 10 10 GLN H H 9 7.284 7.897 -0.613 1
1 111 . 16 1 1 A 10 10 GLN HA H 9 4.113 4.126 -0.013 1
1 118 . 16 1 1 A 10 10 GLN C C 9 177.416 178.118 -0.702 1
1 119 . 16 1 1 A 10 10 GLN CA C 9 56.743 58.324 -1.581 1
1 120 . 16 1 1 A 10 10 GLN CB C 9 30.002 28.904 1.098 1
1 123 . 16 1 1 A 10 10 GLN N N 9 112.843 119.047 -6.204 1
1 125 . 16 1 1 A 11 11 ARG H H 10 7.889 8.256 -0.367 1
1 126 . 16 1 1 A 11 11 ARG HA H 10 4.255 4.039 0.216 1
1 133 . 16 1 1 A 11 11 ARG C C 10 175.059 176.533 -1.474 1
1 134 . 16 1 1 A 11 11 ARG CA C 10 57.018 59.598 -2.580 1
1 135 . 16 1 1 A 11 11 ARG CB C 10 31.628 30.415 1.213 1
1 138 . 16 1 1 A 11 11 ARG N N 10 117.567 120.476 -2.909 1
1 139 . 16 1 1 A 12 12 ARG H H 11 7.443 7.951 -0.508 1
1 140 . 16 1 1 A 12 12 ARG HA H 11 4.493 4.469 0.024 1
1 147 . 16 1 1 A 12 12 ARG CA C 11 54.172 55.752 -1.580 1
1 148 . 16 1 1 A 12 12 ARG CB C 11 32.857 31.163 1.694 1
1 151 . 16 1 1 A 12 12 ARG N N 11 122.786 120.152 2.634 1
1 152 . 16 1 1 A 13 13 SER HA H 12 4.403 4.547 -0.144 1
1 155 . 16 1 1 A 13 13 SER C C 12 174.222 175.287 -1.065 1
1 156 . 16 1 1 A 13 13 SER CA C 12 58.274 60.196 -1.922 1
1 157 . 16 1 1 A 13 13 SER CB C 12 64.821 63.753 1.068 1
1 158 . 16 1 1 A 14 14 PHE H H 13 9.239 9.261 -0.022 1
1 159 . 16 1 1 A 14 14 PHE HA H 13 4.035 4.120 -0.085 1
1 165 . 16 1 1 A 14 14 PHE C C 13 176.023 177.048 -1.025 1
1 166 . 16 1 1 A 14 14 PHE CA C 13 62.790 62.816 -0.026 1
1 167 . 16 1 1 A 14 14 PHE CB C 13 39.580 39.860 -0.280 1
1 169 . 16 1 1 A 14 14 PHE N N 13 123.729 125.676 -1.947 1
1 170 . 16 1 1 A 15 15 GLU H H 14 9.093 8.554 0.539 1
1 171 . 16 1 1 A 15 15 GLU HA H 14 3.813 3.943 -0.130 1
1 176 . 16 1 1 A 15 15 GLU C C 14 179.549 178.738 0.811 1
1 177 . 16 1 1 A 15 15 GLU CA C 14 60.444 60.118 0.326 1
1 178 . 16 1 1 A 15 15 GLU CB C 14 28.804 29.227 -0.423 1
1 180 . 16 1 1 A 15 15 GLU N N 14 115.336 117.667 -2.331 1
1 181 . 16 1 1 A 16 16 GLN H H 15 7.752 8.234 -0.482 1
1 182 . 16 1 1 A 16 16 GLN HA H 15 4.044 4.229 -0.185 1
1 189 . 16 1 1 A 16 16 GLN C C 15 177.931 177.406 0.525 1
1 190 . 16 1 1 A 16 16 GLN CA C 15 58.486 58.102 0.384 1
1 191 . 16 1 1 A 16 16 GLN CB C 15 29.393 28.800 0.593 1
1 194 . 16 1 1 A 16 16 GLN N N 15 119.145 118.537 0.608 1
1 196 . 16 1 1 A 17 17 ARG H H 16 8.577 8.522 0.055 1
1 197 . 16 1 1 A 17 17 ARG HA H 16 4.280 4.304 -0.024 1
1 202 . 16 1 1 A 17 17 ARG C C 16 177.128 178.277 -1.149 1
1 203 . 16 1 1 A 17 17 ARG CA C 16 61.442 58.588 2.854 1
1 204 . 16 1 1 A 17 17 ARG N N 16 121.288 120.631 0.657 1
1 205 . 16 1 1 A 18 18 VAL H H 17 8.329 8.139 0.190 1
1 206 . 16 1 1 A 18 18 VAL HA H 17 3.938 3.769 0.169 1
1 214 . 16 1 1 A 18 18 VAL C C 17 179.744 177.817 1.927 1
1 215 . 16 1 1 A 18 18 VAL CA C 17 65.441 64.990 0.451 1
1 216 . 16 1 1 A 18 18 VAL CB C 17 32.080 31.612 0.468 1
1 219 . 16 1 1 A 18 18 VAL N N 17 116.752 117.226 -0.474 1
1 220 . 16 1 1 A 19 19 GLU H H 18 7.445 8.300 -0.855 1
1 221 . 16 1 1 A 19 19 GLU HA H 18 4.270 4.032 0.238 1
1 226 . 16 1 1 A 19 19 GLU C C 18 177.625 178.295 -0.670 1
1 227 . 16 1 1 A 19 19 GLU CA C 18 58.637 58.921 -0.284 1
1 228 . 16 1 1 A 19 19 GLU CB C 18 29.398 29.766 -0.368 1
1 230 . 16 1 1 A 19 19 GLU N N 18 120.323 122.059 -1.736 1
1 231 . 16 1 1 A 20 20 ASP H H 19 8.690 8.217 0.473 1
1 232 . 16 1 1 A 20 20 ASP HA H 19 4.514 4.414 0.100 1
1 235 . 16 1 1 A 20 20 ASP C C 19 179.877 178.139 1.738 1
1 236 . 16 1 1 A 20 20 ASP CA C 19 57.224 57.695 -0.471 1
1 237 . 16 1 1 A 20 20 ASP CB C 19 41.487 41.310 0.177 1
1 238 . 16 1 1 A 20 20 ASP N N 19 120.313 119.944 0.369 1
1 239 . 16 1 1 A 21 21 VAL H H 20 7.731 8.105 -0.374 1
1 240 . 16 1 1 A 21 21 VAL HA H 20 3.394 3.397 -0.003 1
1 248 . 16 1 1 A 21 21 VAL C C 20 176.989 178.009 -1.020 1
1 249 . 16 1 1 A 21 21 VAL CA C 20 65.989 65.585 0.404 1
1 250 . 16 1 1 A 21 21 VAL CB C 20 31.291 31.044 0.247 1
1 253 . 16 1 1 A 21 21 VAL N N 20 119.119 118.431 0.688 1
1 254 . 16 1 1 A 22 22 ARG H H 21 8.313 7.861 0.452 1
1 255 . 16 1 1 A 22 22 ARG HA H 21 3.825 3.960 -0.135 1
1 263 . 16 1 1 A 22 22 ARG C C 21 180.178 178.454 1.724 1
1 264 . 16 1 1 A 22 22 ARG CA C 21 59.821 59.271 0.550 1
1 265 . 16 1 1 A 22 22 ARG CB C 21 30.164 29.830 0.334 1
1 269 . 16 1 1 A 22 22 ARG N N 21 120.772 121.696 -0.924 1
1 271 . 16 1 1 A 23 23 LEU H H 22 8.306 8.178 0.128 1
1 272 . 16 1 1 A 23 23 LEU HA H 22 4.076 3.930 0.146 1
1 282 . 16 1 1 A 23 23 LEU C C 22 180.221 179.065 1.156 1
1 283 . 16 1 1 A 23 23 LEU CA C 22 57.541 57.905 -0.364 1
1 284 . 16 1 1 A 23 23 LEU CB C 22 42.300 41.563 0.737 1
1 288 . 16 1 1 A 23 23 LEU N N 22 116.413 119.224 -2.811 1
1 289 . 16 1 1 A 24 24 ILE H H 23 7.864 7.611 0.253 1
1 290 . 16 1 1 A 24 24 ILE HA H 23 4.090 3.770 0.320 1
1 300 . 16 1 1 A 24 24 ILE C C 23 177.922 178.315 -0.393 1
1 301 . 16 1 1 A 24 24 ILE CA C 23 60.190 64.480 -4.290 1
1 302 . 16 1 1 A 24 24 ILE CB C 23 38.072 37.472 0.600 1
1 306 . 16 1 1 A 24 24 ILE N N 23 121.259 118.213 3.046 1
1 307 . 16 1 1 A 25 25 ARG H H 24 8.339 8.343 -0.004 1
1 308 . 16 1 1 A 25 25 ARG HA H 24 3.973 4.014 -0.041 1
1 316 . 16 1 1 A 25 25 ARG C C 24 178.479 178.171 0.308 1
1 317 . 16 1 1 A 25 25 ARG CA C 24 57.337 59.320 -1.983 1
1 318 . 16 1 1 A 25 25 ARG CB C 24 28.663 29.979 -1.316 1
1 322 . 16 1 1 A 25 25 ARG N N 24 121.816 121.024 0.792 1
1 324 . 16 1 1 A 26 26 GLU H H 25 7.133 8.557 -1.424 1
1 325 . 16 1 1 A 26 26 GLU HA H 25 4.052 4.261 -0.209 1
1 330 . 16 1 1 A 26 26 GLU C C 25 178.158 176.793 1.365 1
1 331 . 16 1 1 A 26 26 GLU CA C 25 58.367 57.270 1.097 1
1 332 . 16 1 1 A 26 26 GLU CB C 25 29.903 30.096 -0.193 1
1 334 . 16 1 1 A 26 26 GLU N N 25 116.794 116.999 -0.205 1
1 335 . 16 1 1 A 27 27 GLN H H 26 7.283 7.762 -0.479 1
1 336 . 16 1 1 A 27 27 GLN HA H 26 3.888 4.374 -0.486 1
1 343 . 16 1 1 A 27 27 GLN C C 26 176.088 175.882 0.206 1
1 344 . 16 1 1 A 27 27 GLN CA C 26 57.676 57.134 0.542 1
1 345 . 16 1 1 A 27 27 GLN CB C 26 30.382 30.555 -0.173 1
1 348 . 16 1 1 A 27 27 GLN N N 26 116.373 117.778 -1.405 1
1 350 . 16 1 1 A 28 28 HIS H H 27 8.223 8.579 -0.356 1
1 351 . 16 1 1 A 28 28 HIS HA H 27 4.941 5.084 -0.143 1
1 356 . 16 1 1 A 28 28 HIS CA C 27 53.278 53.042 0.236 1
1 357 . 16 1 1 A 28 28 HIS CB C 27 30.933 29.762 1.171 1
1 360 . 16 1 1 A 28 28 HIS N N 27 115.408 116.172 -0.764 1
1 361 . 16 1 1 A 29 29 PRO HA H 28 4.562 4.370 0.192 1
1 368 . 16 1 1 A 29 29 PRO C C 28 178.046 177.659 0.387 1
1 369 . 16 1 1 A 29 29 PRO CA C 28 64.821 64.354 0.467 1
1 370 . 16 1 1 A 29 29 PRO CB C 28 32.447 31.915 0.532 1
1 373 . 16 1 1 A 30 30 THR H H 29 7.820 7.774 0.046 1
1 374 . 16 1 1 A 30 30 THR HA H 29 4.583 4.354 0.229 1
1 379 . 16 1 1 A 30 30 THR C C 29 172.723 173.328 -0.605 1
1 380 . 16 1 1 A 30 30 THR CA C 29 60.826 61.864 -1.038 1
1 381 . 16 1 1 A 30 30 THR CB C 29 68.641 69.154 -0.513 1
1 383 . 16 1 1 A 30 30 THR N N 29 106.682 107.826 -1.144 1
1 384 . 16 1 1 A 31 31 LYS H H 30 7.453 7.113 0.340 1
1 385 . 16 1 1 A 31 31 LYS HA H 30 4.850 5.028 -0.178 1
1 394 . 16 1 1 A 31 31 LYS C C 30 174.296 174.748 -0.452 1
1 395 . 16 1 1 A 31 31 LYS CA C 30 53.944 54.643 -0.699 1
1 396 . 16 1 1 A 31 31 LYS CB C 30 36.098 37.451 -1.353 1
1 400 . 16 1 1 A 31 31 LYS N N 30 117.809 120.261 -2.452 1
1 401 . 16 1 1 A 32 32 ILE H H 31 9.265 9.455 -0.190 1
1 402 . 16 1 1 A 32 32 ILE HA H 31 4.106 4.230 -0.124 1
1 412 . 16 1 1 A 32 32 ILE CA C 31 54.606 57.447 -2.841 1
1 413 . 16 1 1 A 32 32 ILE CB C 31 38.448 39.101 -0.653 1
1 417 . 16 1 1 A 32 32 ILE N N 31 122.497 122.080 0.417 1
1 418 . 16 1 1 A 33 33 PRO HA H 32 5.252 4.882 0.370 1
1 425 . 16 1 1 A 33 33 PRO C C 32 174.652 176.666 -2.014 1
1 426 . 16 1 1 A 33 33 PRO CA C 32 61.704 62.506 -0.802 1
1 427 . 16 1 1 A 33 33 PRO CB C 32 31.873 31.986 -0.113 1
1 430 . 16 1 1 A 34 34 VAL H H 33 9.359 8.663 0.696 1
1 431 . 16 1 1 A 34 34 VAL HA H 33 5.298 5.069 0.229 1
1 439 . 16 1 1 A 34 34 VAL C C 33 173.633 174.679 -1.046 1
1 440 . 16 1 1 A 34 34 VAL CA C 33 59.830 59.599 0.231 1
1 441 . 16 1 1 A 34 34 VAL CB C 33 36.154 36.462 -0.308 1
1 444 . 16 1 1 A 34 34 VAL N N 33 124.496 116.652 7.844 1
1 445 . 16 1 1 A 35 35 ILE H H 34 8.667 8.846 -0.179 1
1 446 . 16 1 1 A 35 35 ILE HA H 34 4.867 4.787 0.080 1
1 456 . 16 1 1 A 35 35 ILE C C 34 175.770 174.710 1.060 1
1 457 . 16 1 1 A 35 35 ILE CA C 34 56.320 60.384 -4.064 1
1 458 . 16 1 1 A 35 35 ILE CB C 34 36.909 39.499 -2.590 1
1 462 . 16 1 1 A 35 35 ILE N N 34 127.447 121.781 5.666 1
1 463 . 16 1 1 A 36 36 ILE H H 35 8.422 8.954 -0.532 1
1 464 . 16 1 1 A 36 36 ILE HA H 35 4.890 5.214 -0.324 1
1 474 . 16 1 1 A 36 36 ILE C C 35 175.098 175.941 -0.843 1
1 475 . 16 1 1 A 36 36 ILE CA C 35 60.806 60.578 0.228 1
1 476 . 16 1 1 A 36 36 ILE CB C 35 39.357 38.718 0.639 1
1 480 . 16 1 1 A 36 36 ILE N N 35 124.267 128.504 -4.237 1
1 481 . 16 1 1 A 37 37 GLU H H 36 8.335 8.864 -0.529 1
1 482 . 16 1 1 A 37 37 GLU HA H 36 4.820 5.104 -0.284 1
1 487 . 16 1 1 A 37 37 GLU C C 36 173.502 175.407 -1.905 1
1 488 . 16 1 1 A 37 37 GLU CA C 36 54.214 54.410 -0.196 1
1 489 . 16 1 1 A 37 37 GLU CB C 36 35.547 33.683 1.864 1
1 491 . 16 1 1 A 37 37 GLU N N 36 123.296 126.175 -2.879 1
1 492 . 16 1 1 A 38 38 ARG H H 37 8.891 8.166 0.725 1
1 493 . 16 1 1 A 38 38 ARG HA H 37 2.755 3.598 -0.843 1
1 501 . 16 1 1 A 38 38 ARG C C 37 176.165 175.326 0.839 1
1 502 . 16 1 1 A 38 38 ARG CA C 37 56.235 55.734 0.501 1
1 503 . 16 1 1 A 38 38 ARG CB C 37 31.328 30.568 0.760 1
1 507 . 16 1 1 A 38 38 ARG N N 37 123.143 121.669 1.474 1
1 509 . 16 1 1 A 39 39 TYR H H 38 8.681 8.039 0.642 1
1 510 . 16 1 1 A 39 39 TYR HA H 38 4.331 4.502 -0.171 1
1 517 . 16 1 1 A 39 39 TYR C C 38 177.064 175.969 1.095 1
1 518 . 16 1 1 A 39 39 TYR CA C 38 57.769 59.265 -1.496 1
1 519 . 16 1 1 A 39 39 TYR CB C 38 39.552 39.184 0.368 1
1 522 . 16 1 1 A 39 39 TYR N N 38 128.699 123.045 5.654 1
1 523 . 16 1 1 A 40 40 LYS H H 39 8.454 8.269 0.185 1
1 524 . 16 1 1 A 40 40 LYS HA H 39 3.841 3.723 0.118 1
1 533 . 16 1 1 A 40 40 LYS C C 39 176.290 177.240 -0.950 1
1 534 . 16 1 1 A 40 40 LYS CA C 39 58.772 58.096 0.676 1
1 535 . 16 1 1 A 40 40 LYS CB C 39 31.738 31.737 0.001 1
1 539 . 16 1 1 A 40 40 LYS N N 39 130.022 126.280 3.742 1
1 540 . 16 1 1 A 41 41 GLY H H 40 5.457 8.907 -3.450 1
1 541 . 16 1 1 A 41 41 GLY HA2 H 40 3.306 4.020 -0.714 1
1 542 . 16 1 1 A 41 41 GLY HA3 H 40 3.999 4.099 -0.100 1
1 543 . 16 1 1 A 41 41 GLY C C 40 173.426 174.008 -0.582 1
1 544 . 16 1 1 A 41 41 GLY CA C 40 44.673 45.661 -0.988 1
1 545 . 16 1 1 A 41 41 GLY N N 40 104.628 112.572 -7.944 1
1 546 . 16 1 1 A 42 42 GLU H H 41 7.440 8.196 -0.756 1
1 547 . 16 1 1 A 42 42 GLU HA H 41 4.278 4.676 -0.398 1
1 552 . 16 1 1 A 42 42 GLU C C 41 176.306 176.681 -0.375 1
1 553 . 16 1 1 A 42 42 GLU CA C 41 56.358 55.248 1.110 1
1 554 . 16 1 1 A 42 42 GLU CB C 41 31.014 31.586 -0.572 1
1 556 . 16 1 1 A 42 42 GLU N N 41 122.648 120.505 2.143 1
1 557 . 16 1 1 A 43 43 LYS H H 42 8.912 8.505 0.407 1
1 558 . 16 1 1 A 43 43 LYS HA H 42 4.680 4.647 0.033 1
1 567 . 16 1 1 A 43 43 LYS C C 42 177.063 178.413 -1.350 1
1 568 . 16 1 1 A 43 43 LYS CA C 42 55.652 56.939 -1.287 1
1 569 . 16 1 1 A 43 43 LYS CB C 42 34.871 33.892 0.979 1
1 573 . 16 1 1 A 43 43 LYS N N 42 123.569 122.945 0.624 1
1 574 . 16 1 1 A 44 44 GLN H H 43 8.446 8.100 0.346 1
1 575 . 16 1 1 A 44 44 GLN HA H 43 4.545 4.049 0.496 1
1 582 . 16 1 1 A 44 44 GLN C C 43 177.152 177.137 0.015 1
1 583 . 16 1 1 A 44 44 GLN CA C 43 57.561 58.707 -1.146 1
1 584 . 16 1 1 A 44 44 GLN CB C 43 30.671 28.666 2.005 1
1 587 . 16 1 1 A 44 44 GLN N N 43 118.990 118.232 0.758 1
1 589 . 16 1 1 A 45 45 LEU H H 44 9.043 8.082 0.961 1
1 590 . 16 1 1 A 45 45 LEU HA H 44 4.716 4.515 0.201 1
1 600 . 16 1 1 A 45 45 LEU CA C 44 53.078 53.905 -0.827 1
1 601 . 16 1 1 A 45 45 LEU CB C 44 43.614 41.357 2.257 1
1 605 . 16 1 1 A 45 45 LEU N N 44 120.375 120.250 0.125 1
1 606 . 16 1 1 A 46 46 PRO HA H 45 4.723 4.663 0.060 1
1 613 . 16 1 1 A 46 46 PRO C C 45 175.883 175.884 -0.001 1
1 614 . 16 1 1 A 46 46 PRO CA C 45 62.005 62.264 -0.259 1
1 615 . 16 1 1 A 46 46 PRO CB C 45 32.609 32.792 -0.183 1
1 618 . 16 1 1 A 47 47 VAL H H 46 8.437 8.552 -0.115 1
1 619 . 16 1 1 A 47 47 VAL HA H 46 3.914 4.316 -0.402 1
1 627 . 16 1 1 A 47 47 VAL C C 46 175.367 176.072 -0.705 1
1 628 . 16 1 1 A 47 47 VAL CA C 46 62.700 61.849 0.851 1
1 629 . 16 1 1 A 47 47 VAL CB C 46 32.927 31.588 1.339 1
1 632 . 16 1 1 A 47 47 VAL N N 46 118.440 121.125 -2.685 1
1 633 . 16 1 1 A 48 48 LEU H H 47 7.863 8.429 -0.566 1
1 634 . 16 1 1 A 48 48 LEU HA H 47 4.384 4.070 0.314 1
1 644 . 16 1 1 A 48 48 LEU C C 47 176.088 178.038 -1.950 1
1 645 . 16 1 1 A 48 48 LEU CA C 47 54.851 55.968 -1.117 1
1 646 . 16 1 1 A 48 48 LEU CB C 47 43.841 44.021 -0.180 1
1 650 . 16 1 1 A 48 48 LEU N N 47 129.127 129.734 -0.607 1
1 651 . 16 1 1 A 49 49 ASP H H 48 8.699 8.555 0.144 1
1 652 . 16 1 1 A 49 49 ASP HA H 48 4.293 4.323 -0.030 1
1 655 . 16 1 1 A 49 49 ASP C C 48 175.121 176.280 -1.159 1
1 656 . 16 1 1 A 49 49 ASP CA C 48 55.717 57.298 -1.581 1
1 657 . 16 1 1 A 49 49 ASP CB C 48 40.260 40.849 -0.589 1
1 658 . 16 1 1 A 49 49 ASP N N 48 121.389 124.470 -3.081 1
1 659 . 16 1 1 A 50 50 LYS H H 49 7.251 7.624 -0.373 1
1 660 . 16 1 1 A 50 50 LYS HA H 49 4.540 4.498 0.042 1
1 669 . 16 1 1 A 50 50 LYS C C 49 174.664 175.511 -0.847 1
1 670 . 16 1 1 A 50 50 LYS CA C 49 53.211 55.261 -2.050 1
1 671 . 16 1 1 A 50 50 LYS CB C 49 35.514 32.628 2.886 1
1 675 . 16 1 1 A 50 50 LYS N N 49 118.260 114.246 4.014 1
1 676 . 16 1 1 A 51 51 THR H H 50 8.162 8.149 0.013 1
1 677 . 16 1 1 A 51 51 THR HA H 50 4.685 4.937 -0.252 1
1 682 . 16 1 1 A 51 51 THR C C 50 171.631 174.677 -3.046 1
1 683 . 16 1 1 A 51 51 THR CA C 50 63.581 63.172 0.409 1
1 684 . 16 1 1 A 51 51 THR CB C 50 71.587 70.532 1.055 1
1 686 . 16 1 1 A 51 51 THR N N 50 112.535 112.917 -0.382 1
1 687 . 16 1 1 A 52 52 LYS H H 51 6.971 7.543 -0.572 1
1 688 . 16 1 1 A 52 52 LYS HA H 51 4.443 4.752 -0.309 1
1 697 . 16 1 1 A 52 52 LYS C C 51 175.417 175.928 -0.511 1
1 698 . 16 1 1 A 52 52 LYS CA C 51 55.209 55.589 -0.380 1
1 699 . 16 1 1 A 52 52 LYS CB C 51 33.309 33.883 -0.574 1
1 703 . 16 1 1 A 52 52 LYS N N 51 120.227 118.570 1.657 1
1 704 . 16 1 1 A 53 53 PHE H H 52 9.688 9.316 0.372 1
1 705 . 16 1 1 A 53 53 PHE HA H 52 5.675 4.968 0.707 1
1 712 . 16 1 1 A 53 53 PHE C C 52 174.348 174.589 -0.241 1
1 713 . 16 1 1 A 53 53 PHE CA C 52 56.625 56.709 -0.084 1
1 714 . 16 1 1 A 53 53 PHE CB C 52 43.109 43.079 0.030 1
1 716 . 16 1 1 A 53 53 PHE N N 52 124.646 121.528 3.118 1
1 717 . 16 1 1 A 54 54 LEU H H 53 8.470 9.048 -0.578 1
1 718 . 16 1 1 A 54 54 LEU HA H 53 5.044 4.908 0.136 1
1 728 . 16 1 1 A 54 54 LEU C C 53 176.144 175.231 0.913 1
1 729 . 16 1 1 A 54 54 LEU CA C 53 52.954 53.507 -0.553 1
1 730 . 16 1 1 A 54 54 LEU CB C 53 45.081 42.069 3.012 1
1 734 . 16 1 1 A 54 54 LEU N N 53 119.430 124.152 -4.722 1
1 735 . 16 1 1 A 55 55 VAL H H 54 8.802 8.636 0.166 1
1 736 . 16 1 1 A 55 55 VAL HA H 54 4.640 4.563 0.077 1
1 744 . 16 1 1 A 55 55 VAL CA C 54 58.549 59.925 -1.376 1
1 745 . 16 1 1 A 55 55 VAL CB C 54 35.342 33.389 1.953 1
1 748 . 16 1 1 A 55 55 VAL N N 54 123.841 125.338 -1.497 1
1 749 . 16 1 1 A 56 56 PRO HA H 55 4.439 4.897 -0.458 1
1 756 . 16 1 1 A 56 56 PRO C C 55 176.666 176.724 -0.058 1
1 757 . 16 1 1 A 56 56 PRO CA C 55 64.256 62.541 1.715 1
1 758 . 16 1 1 A 56 56 PRO CB C 55 32.783 32.017 0.766 1
1 761 . 16 1 1 A 57 57 ASP H H 56 8.412 8.156 0.256 1
1 762 . 16 1 1 A 57 57 ASP HA H 56 3.848 4.547 -0.699 1
1 765 . 16 1 1 A 57 57 ASP C C 56 175.417 176.636 -1.219 1
1 766 . 16 1 1 A 57 57 ASP CA C 56 56.616 53.889 2.727 1
1 767 . 16 1 1 A 57 57 ASP CB C 56 40.410 39.882 0.528 1
1 768 . 16 1 1 A 57 57 ASP N N 56 120.415 122.933 -2.518 1
1 769 . 16 1 1 A 58 58 HIS H H 57 7.373 7.866 -0.493 1
1 770 . 16 1 1 A 58 58 HIS HA H 57 4.770 4.828 -0.058 1
1 775 . 16 1 1 A 58 58 HIS C C 57 176.594 174.149 2.445 1
1 776 . 16 1 1 A 58 58 HIS CA C 57 55.584 55.101 0.483 1
1 777 . 16 1 1 A 58 58 HIS CB C 57 30.628 30.983 -0.355 1
1 780 . 16 1 1 A 58 58 HIS N N 57 113.439 114.129 -0.690 1
1 781 . 16 1 1 A 59 59 VAL H H 58 7.249 7.483 -0.234 1
1 782 . 16 1 1 A 59 59 VAL HA H 58 3.903 4.717 -0.814 1
1 790 . 16 1 1 A 59 59 VAL C C 58 175.014 173.753 1.261 1
1 791 . 16 1 1 A 59 59 VAL CA C 58 62.726 58.917 3.809 1
1 792 . 16 1 1 A 59 59 VAL CB C 58 32.190 36.051 -3.861 1
1 795 . 16 1 1 A 59 59 VAL N N 58 122.597 115.431 7.166 1
1 796 . 16 1 1 A 60 60 ASN H H 59 8.677 8.355 0.322 1
1 797 . 16 1 1 A 60 60 ASN HA H 59 5.187 5.140 0.047 1
1 802 . 16 1 1 A 60 60 ASN C C 59 176.477 177.036 -0.559 1
1 803 . 16 1 1 A 60 60 ASN CA C 59 51.181 51.348 -0.167 1
1 804 . 16 1 1 A 60 60 ASN CB C 59 39.947 40.884 -0.937 1
1 806 . 16 1 1 A 60 60 ASN N N 59 122.962 119.113 3.849 1
1 808 . 16 1 1 A 61 61 MET H H 60 8.038 8.691 -0.653 1
1 809 . 16 1 1 A 61 61 MET HA H 60 4.426 4.166 0.260 1
1 817 . 16 1 1 A 61 61 MET C C 60 177.996 178.345 -0.349 1
1 818 . 16 1 1 A 61 61 MET CA C 60 57.118 58.208 -1.090 1
1 819 . 16 1 1 A 61 61 MET CB C 60 29.998 32.057 -2.059 1
1 822 . 16 1 1 A 61 61 MET N N 60 116.814 120.897 -4.083 1
1 823 . 16 1 1 A 62 62 SER H H 61 8.401 8.147 0.254 1
1 824 . 16 1 1 A 62 62 SER HA H 61 4.132 4.106 0.026 1
1 827 . 16 1 1 A 62 62 SER C C 61 177.255 177.206 0.049 1
1 828 . 16 1 1 A 62 62 SER CA C 61 61.559 61.434 0.125 1
1 829 . 16 1 1 A 62 62 SER CB C 61 62.430 63.169 -0.739 1
1 830 . 16 1 1 A 62 62 SER N N 61 114.109 115.785 -1.676 1
1 831 . 16 1 1 A 63 63 GLU H H 62 8.014 8.090 -0.076 1
1 832 . 16 1 1 A 63 63 GLU HA H 62 4.016 3.959 0.057 1
1 837 . 16 1 1 A 63 63 GLU C C 62 178.327 178.860 -0.533 1
1 838 . 16 1 1 A 63 63 GLU CA C 62 58.787 59.463 -0.676 1
1 839 . 16 1 1 A 63 63 GLU CB C 62 29.814 29.318 0.496 1
1 841 . 16 1 1 A 63 63 GLU N N 62 122.806 121.260 1.546 1
1 842 . 16 1 1 A 64 64 LEU H H 63 8.254 8.165 0.089 1
1 843 . 16 1 1 A 64 64 LEU HA H 63 3.932 3.957 -0.025 1
1 853 . 16 1 1 A 64 64 LEU C C 63 178.029 178.392 -0.363 1
1 854 . 16 1 1 A 64 64 LEU CA C 63 57.986 58.261 -0.275 1
1 855 . 16 1 1 A 64 64 LEU CB C 63 41.377 41.867 -0.490 1
1 859 . 16 1 1 A 64 64 LEU N N 63 120.526 121.893 -1.367 1
1 860 . 16 1 1 A 65 65 ILE H H 64 8.415 8.295 0.120 1
1 861 . 16 1 1 A 65 65 ILE HA H 64 3.377 3.679 -0.302 1
1 871 . 16 1 1 A 65 65 ILE C C 64 177.078 178.232 -1.154 1
1 872 . 16 1 1 A 65 65 ILE CA C 64 66.699 65.695 1.004 1
1 873 . 16 1 1 A 65 65 ILE CB C 64 38.128 37.722 0.406 1
1 877 . 16 1 1 A 65 65 ILE N N 64 118.349 120.186 -1.837 1
1 878 . 16 1 1 A 66 66 LYS H H 65 7.366 8.135 -0.769 1
1 879 . 16 1 1 A 66 66 LYS HA H 65 3.696 4.171 -0.475 1
1 888 . 16 1 1 A 66 66 LYS C C 65 179.260 178.830 0.430 1
1 889 . 16 1 1 A 66 66 LYS CA C 65 60.593 58.618 1.975 1
1 890 . 16 1 1 A 66 66 LYS CB C 65 32.421 32.051 0.370 1
1 894 . 16 1 1 A 66 66 LYS N N 65 118.334 119.118 -0.784 1
1 895 . 16 1 1 A 67 67 ILE H H 66 8.179 7.912 0.267 1
1 896 . 16 1 1 A 67 67 ILE HA H 66 3.546 3.927 -0.381 1
1 906 . 16 1 1 A 67 67 ILE C C 66 178.784 178.359 0.425 1
1 907 . 16 1 1 A 67 67 ILE CA C 66 65.488 64.351 1.137 1
1 908 . 16 1 1 A 67 67 ILE CB C 66 38.593 37.011 1.582 1
1 912 . 16 1 1 A 67 67 ILE N N 66 119.791 119.500 0.291 1
1 913 . 16 1 1 A 68 68 ILE H H 67 8.279 8.237 0.042 1
1 914 . 16 1 1 A 68 68 ILE HA H 67 3.391 3.359 0.032 1
1 924 . 16 1 1 A 68 68 ILE C C 67 177.403 177.549 -0.146 1
1 925 . 16 1 1 A 68 68 ILE CA C 67 63.144 64.630 -1.486 1
1 926 . 16 1 1 A 68 68 ILE CB C 67 35.269 37.450 -2.181 1
1 930 . 16 1 1 A 68 68 ILE N N 67 120.267 122.038 -1.771 1
1 931 . 16 1 1 A 69 69 ARG H H 68 8.454 8.022 0.432 1
1 932 . 16 1 1 A 69 69 ARG HA H 68 2.966 3.375 -0.409 1
1 939 . 16 1 1 A 69 69 ARG C C 68 178.385 177.897 0.488 1
1 940 . 16 1 1 A 69 69 ARG CA C 68 60.642 58.480 2.162 1
1 941 . 16 1 1 A 69 69 ARG CB C 68 30.442 29.814 0.628 1
1 944 . 16 1 1 A 69 69 ARG N N 68 118.881 120.385 -1.504 1
1 945 . 16 1 1 A 70 70 ARG H H 69 7.492 7.933 -0.441 1
1 946 . 16 1 1 A 70 70 ARG HA H 69 4.164 4.063 0.101 1
1 954 . 16 1 1 A 70 70 ARG C C 69 180.253 178.555 1.698 1
1 955 . 16 1 1 A 70 70 ARG CA C 69 58.510 59.488 -0.978 1
1 956 . 16 1 1 A 70 70 ARG CB C 69 29.587 29.789 -0.202 1
1 960 . 16 1 1 A 70 70 ARG N N 69 116.411 118.874 -2.463 1
1 962 . 16 1 1 A 71 71 ARG H H 70 8.086 8.116 -0.030 1
1 963 . 16 1 1 A 71 71 ARG HA H 70 4.025 4.024 0.001 1
1 970 . 16 1 1 A 71 71 ARG C C 70 178.558 178.378 0.180 1
1 971 . 16 1 1 A 71 71 ARG CA C 70 59.428 59.084 0.344 1
1 972 . 16 1 1 A 71 71 ARG CB C 70 30.235 30.319 -0.084 1
1 975 . 16 1 1 A 71 71 ARG N N 70 122.779 119.417 3.362 1
1 976 . 16 1 1 A 72 72 LEU H H 71 7.755 7.478 0.277 1
1 977 . 16 1 1 A 72 72 LEU HA H 71 4.081 4.024 0.057 1
1 987 . 16 1 1 A 72 72 LEU C C 71 174.852 176.698 -1.846 1
1 988 . 16 1 1 A 72 72 LEU CA C 71 55.060 56.336 -1.276 1
1 989 . 16 1 1 A 72 72 LEU CB C 71 43.109 41.470 1.639 1
1 993 . 16 1 1 A 72 72 LEU N N 71 116.551 118.928 -2.377 1
1 994 . 16 1 1 A 73 73 GLN H H 72 7.740 7.793 -0.053 1
1 995 . 16 1 1 A 73 73 GLN HA H 72 3.853 3.944 -0.091 1
1 1002 . 16 1 1 A 73 73 GLN C C 72 175.619 174.868 0.751 1
1 1003 . 16 1 1 A 73 73 GLN CA C 72 56.273 56.577 -0.304 1
1 1004 . 16 1 1 A 73 73 GLN CB C 72 25.939 26.423 -0.484 1
1 1007 . 16 1 1 A 73 73 GLN N N 72 114.737 117.749 -3.012 1
1 1009 . 16 1 1 A 74 74 LEU H H 73 7.525 7.906 -0.381 1
1 1010 . 16 1 1 A 74 74 LEU HA H 73 4.242 4.337 -0.095 1
1 1020 . 16 1 1 A 74 74 LEU C C 73 178.611 176.587 2.024 1
1 1021 . 16 1 1 A 74 74 LEU CA C 73 54.382 54.815 -0.433 1
1 1022 . 16 1 1 A 74 74 LEU CB C 73 41.995 42.280 -0.285 1
1 1026 . 16 1 1 A 74 74 LEU N N 73 114.861 120.714 -5.853 1
1 1027 . 16 1 1 A 75 75 ASN H H 74 8.970 8.712 0.258 1
1 1028 . 16 1 1 A 75 75 ASN HA H 74 4.694 5.009 -0.315 1
1 1033 . 16 1 1 A 75 75 ASN C C 74 176.527 176.110 0.417 1
1 1034 . 16 1 1 A 75 75 ASN CA C 74 52.686 51.669 1.017 1
1 1035 . 16 1 1 A 75 75 ASN CB C 74 39.583 40.974 -1.391 1
1 1037 . 16 1 1 A 75 75 ASN N N 74 121.274 119.312 1.962 1
1 1039 . 16 1 1 A 76 76 ALA H H 75 8.697 8.770 -0.073 1
1 1040 . 16 1 1 A 76 76 ALA HA H 75 3.966 4.006 -0.040 1
1 1044 . 16 1 1 A 76 76 ALA C C 75 178.002 179.878 -1.876 1
1 1045 . 16 1 1 A 76 76 ALA CA C 75 54.797 55.474 -0.677 1
1 1046 . 16 1 1 A 76 76 ALA CB C 75 18.669 18.185 0.484 1
1 1047 . 16 1 1 A 76 76 ALA N N 75 123.590 122.186 1.404 1
1 1048 . 16 1 1 A 77 77 ASN H H 76 8.344 8.173 0.171 1
1 1049 . 16 1 1 A 77 77 ASN HA H 76 4.585 4.421 0.164 1
1 1054 . 16 1 1 A 77 77 ASN C C 76 175.371 176.166 -0.795 1
1 1055 . 16 1 1 A 77 77 ASN CA C 76 53.183 56.480 -3.297 1
1 1056 . 16 1 1 A 77 77 ASN CB C 76 38.277 38.278 -0.001 1
1 1058 . 16 1 1 A 77 77 ASN N N 76 112.004 116.395 -4.391 1
1 1060 . 16 1 1 A 78 78 GLN H H 77 7.532 7.480 0.052 1
1 1061 . 16 1 1 A 78 78 GLN HA H 77 4.281 4.662 -0.381 1
1 1068 . 16 1 1 A 78 78 GLN C C 77 175.001 174.624 0.377 1
1 1069 . 16 1 1 A 78 78 GLN CA C 77 55.875 55.282 0.593 1
1 1070 . 16 1 1 A 78 78 GLN CB C 77 30.227 30.221 0.006 1
1 1073 . 16 1 1 A 78 78 GLN N N 77 120.237 118.957 1.280 1
1 1075 . 16 1 1 A 79 79 ALA H H 78 8.732 9.027 -0.295 1
1 1076 . 16 1 1 A 79 79 ALA HA H 78 4.183 5.304 -1.121 1
1 1080 . 16 1 1 A 79 79 ALA C C 78 176.367 175.481 0.886 1
1 1081 . 16 1 1 A 79 79 ALA CA C 78 52.798 50.161 2.637 1
1 1082 . 16 1 1 A 79 79 ALA CB C 78 20.051 21.742 -1.691 1
1 1083 . 16 1 1 A 79 79 ALA N N 78 130.399 129.810 0.589 1
1 1084 . 16 1 1 A 80 80 PHE H H 79 7.603 8.589 -0.986 1
1 1085 . 16 1 1 A 80 80 PHE HA H 79 4.449 5.246 -0.797 1
1 1093 . 16 1 1 A 80 80 PHE C C 79 171.709 173.063 -1.354 1
1 1094 . 16 1 1 A 80 80 PHE CA C 79 59.101 56.487 2.614 1
1 1095 . 16 1 1 A 80 80 PHE CB C 79 42.282 42.514 -0.232 1
1 1099 . 16 1 1 A 80 80 PHE N N 79 118.988 123.386 -4.398 1
1 1100 . 16 1 1 A 81 81 PHE H H 80 8.507 9.221 -0.714 1
1 1101 . 16 1 1 A 81 81 PHE HA H 80 4.421 4.400 0.021 1
1 1109 . 16 1 1 A 81 81 PHE C C 80 172.644 173.840 -1.196 1
1 1110 . 16 1 1 A 81 81 PHE CA C 80 56.711 55.733 0.978 1
1 1111 . 16 1 1 A 81 81 PHE CB C 80 41.880 41.808 0.072 1
1 1115 . 16 1 1 A 81 81 PHE N N 80 126.042 125.068 0.974 1
1 1116 . 16 1 1 A 82 82 LEU H H 81 8.199 8.452 -0.253 1
1 1117 . 16 1 1 A 82 82 LEU HA H 81 4.883 4.852 0.031 1
1 1127 . 16 1 1 A 82 82 LEU C C 81 174.440 174.745 -0.305 1
1 1128 . 16 1 1 A 82 82 LEU CA C 81 53.153 54.218 -1.065 1
1 1129 . 16 1 1 A 82 82 LEU CB C 81 45.520 42.607 2.913 1
1 1133 . 16 1 1 A 82 82 LEU N N 81 121.512 126.259 -4.747 1
1 1134 . 16 1 1 A 83 83 LEU H H 82 9.349 9.645 -0.296 1
1 1135 . 16 1 1 A 83 83 LEU HA H 82 4.810 4.749 0.061 1
1 1145 . 16 1 1 A 83 83 LEU C C 82 177.075 175.979 1.096 1
1 1146 . 16 1 1 A 83 83 LEU CA C 82 54.122 53.776 0.346 1
1 1147 . 16 1 1 A 83 83 LEU CB C 82 43.394 42.031 1.363 1
1 1151 . 16 1 1 A 83 83 LEU N N 82 125.253 129.202 -3.949 1
1 1152 . 16 1 1 A 84 84 VAL H H 83 8.681 9.131 -0.450 1
1 1153 . 16 1 1 A 84 84 VAL HA H 83 4.411 4.065 0.346 1
1 1161 . 16 1 1 A 84 84 VAL C C 83 175.797 176.213 -0.416 1
1 1162 . 16 1 1 A 84 84 VAL CA C 83 61.630 62.152 -0.522 1
1 1163 . 16 1 1 A 84 84 VAL CB C 83 33.647 31.243 2.404 1
1 1166 . 16 1 1 A 84 84 VAL N N 83 123.543 125.195 -1.652 1
1 1167 . 16 1 1 A 85 85 ASN H H 84 9.622 9.374 0.248 1
1 1168 . 16 1 1 A 85 85 ASN HA H 84 4.399 4.700 -0.301 1
1 1173 . 16 1 1 A 85 85 ASN C C 84 175.042 175.051 -0.009 1
1 1174 . 16 1 1 A 85 85 ASN CA C 84 54.610 54.234 0.376 1
1 1175 . 16 1 1 A 85 85 ASN CB C 84 37.927 37.006 0.921 1
1 1177 . 16 1 1 A 85 85 ASN N N 84 125.848 127.405 -1.557 1
1 1179 . 16 1 1 A 86 86 GLY H H 85 8.551 8.467 0.084 1
1 1180 . 16 1 1 A 86 86 GLY HA2 H 85 3.368 3.812 -0.444 1
1 1181 . 16 1 1 A 86 86 GLY HA3 H 85 4.064 3.903 0.161 1
1 1182 . 16 1 1 A 86 86 GLY C C 85 173.524 173.732 -0.208 1
1 1183 . 16 1 1 A 86 86 GLY CA C 85 45.588 45.414 0.174 1
1 1184 . 16 1 1 A 86 86 GLY N N 85 101.093 104.830 -3.737 1
1 1185 . 16 1 1 A 87 87 HIS H H 86 7.906 7.748 0.158 1
1 1186 . 16 1 1 A 87 87 HIS HA H 86 5.003 5.478 -0.475 1
1 1191 . 16 1 1 A 87 87 HIS C C 86 173.910 174.391 -0.481 1
1 1192 . 16 1 1 A 87 87 HIS CA C 86 54.213 53.864 0.349 1
1 1193 . 16 1 1 A 87 87 HIS CB C 86 31.482 32.846 -1.364 1
1 1196 . 16 1 1 A 87 87 HIS N N 86 117.253 115.601 1.652 1
1 1197 . 16 1 1 A 88 88 SER H H 87 8.846 9.163 -0.317 1
1 1198 . 16 1 1 A 88 88 SER HA H 87 4.702 4.473 0.229 1
1 1201 . 16 1 1 A 88 88 SER C C 87 175.739 175.214 0.525 1
1 1202 . 16 1 1 A 88 88 SER CA C 87 58.245 58.208 0.037 1
1 1203 . 16 1 1 A 88 88 SER CB C 87 63.764 64.890 -1.126 1
1 1204 . 16 1 1 A 88 88 SER N N 87 117.469 115.732 1.737 1
1 1205 . 16 1 1 A 89 89 MET H H 88 9.174 8.432 0.742 1
1 1206 . 16 1 1 A 89 89 MET HA H 88 4.820 4.957 -0.137 1
1 1214 . 16 1 1 A 89 89 MET C C 88 176.294 177.090 -0.796 1
1 1215 . 16 1 1 A 89 89 MET CA C 88 54.853 54.026 0.827 1
1 1216 . 16 1 1 A 89 89 MET CB C 88 33.183 31.956 1.227 1
1 1219 . 16 1 1 A 89 89 MET N N 88 125.111 118.530 6.581 1
1 1220 . 16 1 1 A 90 90 VAL H H 89 8.217 7.266 0.951 1
1 1221 . 16 1 1 A 90 90 VAL HA H 89 4.063 3.765 0.298 1
1 1229 . 16 1 1 A 90 90 VAL C C 89 176.249 175.876 0.373 1
1 1230 . 16 1 1 A 90 90 VAL CA C 89 63.377 64.860 -1.483 1
1 1231 . 16 1 1 A 90 90 VAL CB C 89 32.473 31.653 0.820 1
1 1234 . 16 1 1 A 90 90 VAL N N 89 120.477 120.399 0.078 1
1 1235 . 16 1 1 A 91 91 SER H H 90 8.356 7.828 0.528 1
1 1236 . 16 1 1 A 91 91 SER HA H 90 4.614 4.897 -0.283 1
1 1239 . 16 1 1 A 91 91 SER C C 90 175.841 172.702 3.139 1
1 1240 . 16 1 1 A 91 91 SER CA C 90 57.860 56.518 1.342 1
1 1241 . 16 1 1 A 91 91 SER CB C 90 63.398 64.352 -0.954 1
1 1242 . 16 1 1 A 91 91 SER N N 90 116.676 116.224 0.452 1
1 1243 . 16 1 1 A 92 92 VAL H H 91 8.158 8.947 -0.789 1
1 1244 . 16 1 1 A 92 92 VAL HA H 91 4.245 4.722 -0.477 1
1 1252 . 16 1 1 A 92 92 VAL C C 91 175.856 175.292 0.564 1
1 1253 . 16 1 1 A 92 92 VAL CA C 91 63.121 61.422 1.699 1
1 1254 . 16 1 1 A 92 92 VAL CB C 91 31.872 33.051 -1.179 1
1 1257 . 16 1 1 A 92 92 VAL N N 91 119.994 129.629 -9.635 1
1 1258 . 16 1 1 A 93 93 SER H H 92 8.368 8.837 -0.469 1
1 1259 . 16 1 1 A 93 93 SER HA H 92 4.581 4.767 -0.186 1
1 1262 . 16 1 1 A 93 93 SER C C 92 174.154 173.498 0.656 1
1 1263 . 16 1 1 A 93 93 SER CA C 92 57.706 57.376 0.330 1
1 1264 . 16 1 1 A 93 93 SER CB C 92 63.126 64.013 -0.887 1
1 1265 . 16 1 1 A 93 93 SER N N 92 116.504 126.488 -9.984 1
1 1266 . 16 1 1 A 94 94 THR H H 93 7.427 7.510 -0.083 1
1 1267 . 16 1 1 A 94 94 THR HA H 93 4.464 4.658 -0.194 1
1 1272 . 16 1 1 A 94 94 THR CA C 93 61.032 59.193 1.839 1
1 1273 . 16 1 1 A 94 94 THR CB C 93 70.505 71.592 -1.087 1
1 1275 . 16 1 1 A 94 94 THR N N 93 119.172 115.779 3.393 1
1 1276 . 16 1 1 A 95 95 PRO HA H 94 4.426 4.686 -0.260 1
1 1283 . 16 1 1 A 95 95 PRO C C 94 178.692 178.028 0.664 1
1 1284 . 16 1 1 A 95 95 PRO CA C 94 62.921 62.735 0.186 1
1 1285 . 16 1 1 A 95 95 PRO CB C 94 32.774 32.278 0.496 1
1 1288 . 16 1 1 A 96 96 ILE H H 95 9.324 8.966 0.358 1
1 1289 . 16 1 1 A 96 96 ILE HA H 95 3.956 3.962 -0.006 1
1 1299 . 16 1 1 A 96 96 ILE C C 95 176.415 177.339 -0.924 1
1 1300 . 16 1 1 A 96 96 ILE CA C 95 63.880 63.829 0.051 1
1 1301 . 16 1 1 A 96 96 ILE CB C 95 38.055 37.753 0.302 1
1 1305 . 16 1 1 A 96 96 ILE N N 95 123.862 125.868 -2.006 1
1 1306 . 16 1 1 A 97 97 SER H H 96 8.211 8.389 -0.178 1
1 1307 . 16 1 1 A 97 97 SER HA H 96 3.978 4.154 -0.176 1
1 1310 . 16 1 1 A 97 97 SER C C 96 176.494 177.353 -0.859 1
1 1311 . 16 1 1 A 97 97 SER CA C 96 61.576 61.266 0.310 1
1 1312 . 16 1 1 A 97 97 SER CB C 96 61.262 62.208 -0.946 1
1 1313 . 16 1 1 A 97 97 SER N N 96 116.529 117.036 -0.507 1
1 1314 . 16 1 1 A 98 98 GLU H H 97 7.329 7.955 -0.626 1
1 1315 . 16 1 1 A 98 98 GLU HA H 97 4.290 4.256 0.034 1
1 1320 . 16 1 1 A 98 98 GLU C C 97 179.288 179.001 0.287 1
1 1321 . 16 1 1 A 98 98 GLU CA C 97 58.705 59.274 -0.569 1
1 1322 . 16 1 1 A 98 98 GLU CB C 97 29.791 30.317 -0.526 1
1 1324 . 16 1 1 A 98 98 GLU N N 97 122.955 122.395 0.560 1
1 1325 . 16 1 1 A 99 99 VAL H H 98 7.386 8.336 -0.950 1
1 1326 . 16 1 1 A 99 99 VAL HA H 98 3.815 3.808 0.007 1
1 1334 . 16 1 1 A 99 99 VAL C C 98 177.662 178.315 -0.653 1
1 1335 . 16 1 1 A 99 99 VAL CA C 98 65.774 65.917 -0.143 1
1 1336 . 16 1 1 A 99 99 VAL CB C 98 32.047 31.776 0.271 1
1 1339 . 16 1 1 A 99 99 VAL N N 98 120.888 120.595 0.293 1
1 1340 . 16 1 1 A 100 100 TYR H H 99 8.984 7.970 1.014 1
1 1341 . 16 1 1 A 100 100 TYR HA H 99 4.013 4.226 -0.213 1
1 1348 . 16 1 1 A 100 100 TYR C C 99 176.355 178.196 -1.841 1
1 1349 . 16 1 1 A 100 100 TYR CA C 99 62.118 61.625 0.493 1
1 1350 . 16 1 1 A 100 100 TYR CB C 99 38.921 38.796 0.125 1
1 1353 . 16 1 1 A 100 100 TYR N N 99 118.874 120.955 -2.081 1
1 1354 . 16 1 1 A 101 101 GLU H H 100 7.433 8.754 -1.321 1
1 1355 . 16 1 1 A 101 101 GLU HA H 100 3.833 4.077 -0.244 1
1 1360 . 16 1 1 A 101 101 GLU C C 100 177.674 176.874 0.800 1
1 1361 . 16 1 1 A 101 101 GLU CA C 100 58.895 58.029 0.866 1
1 1362 . 16 1 1 A 101 101 GLU CB C 100 29.577 28.504 1.073 1
1 1364 . 16 1 1 A 101 101 GLU N N 100 114.383 117.763 -3.380 1
1 1365 . 16 1 1 A 102 102 SER H H 101 7.423 8.076 -0.653 1
1 1366 . 16 1 1 A 102 102 SER HA H 101 4.552 4.551 0.001 1
1 1369 . 16 1 1 A 102 102 SER C C 101 176.554 174.803 1.751 1
1 1370 . 16 1 1 A 102 102 SER CA C 101 60.200 58.996 1.204 1
1 1371 . 16 1 1 A 102 102 SER CB C 101 64.828 64.311 0.517 1
1 1372 . 16 1 1 A 102 102 SER N N 101 108.722 115.048 -6.326 1
1 1373 . 16 1 1 A 103 103 GLU H H 102 8.488 7.970 0.518 1
1 1374 . 16 1 1 A 103 103 GLU HA H 102 4.752 4.477 0.275 1
1 1379 . 16 1 1 A 103 103 GLU C C 102 176.653 176.402 0.251 1
1 1380 . 16 1 1 A 103 103 GLU CA C 102 55.464 57.495 -2.031 1
1 1381 . 16 1 1 A 103 103 GLU CB C 102 30.611 31.461 -0.850 1
1 1383 . 16 1 1 A 103 103 GLU N N 102 116.116 118.756 -2.640 1
1 1384 . 16 1 1 A 104 104 ARG H H 103 7.511 7.679 -0.168 1
1 1385 . 16 1 1 A 104 104 ARG HA H 103 4.241 4.256 -0.015 1
1 1392 . 16 1 1 A 104 104 ARG C C 103 174.634 175.519 -0.885 1
1 1393 . 16 1 1 A 104 104 ARG CA C 103 56.926 56.174 0.752 1
1 1394 . 16 1 1 A 104 104 ARG CB C 103 29.713 29.940 -0.227 1
1 1397 . 16 1 1 A 104 104 ARG N N 103 117.180 118.645 -1.465 1
1 1398 . 16 1 1 A 105 105 ASP H H 104 9.069 8.926 0.143 1
1 1399 . 16 1 1 A 105 105 ASP HA H 104 4.774 5.040 -0.266 1
1 1402 . 16 1 1 A 105 105 ASP C C 104 177.460 177.017 0.443 1
1 1403 . 16 1 1 A 105 105 ASP CA C 104 53.852 52.522 1.330 1
1 1404 . 16 1 1 A 105 105 ASP CB C 104 43.424 43.377 0.047 1
1 1405 . 16 1 1 A 105 105 ASP N N 104 123.349 122.516 0.833 1
1 1406 . 16 1 1 A 106 106 GLU H H 105 8.982 8.940 0.042 1
1 1407 . 16 1 1 A 106 106 GLU HA H 105 4.199 3.989 0.210 1
1 1412 . 16 1 1 A 106 106 GLU C C 105 177.398 178.033 -0.635 1
1 1413 . 16 1 1 A 106 106 GLU CA C 105 59.413 59.834 -0.421 1
1 1414 . 16 1 1 A 106 106 GLU CB C 105 29.983 29.392 0.591 1
1 1416 . 16 1 1 A 106 106 GLU N N 105 125.197 121.204 3.993 1
1 1417 . 16 1 1 A 107 107 ASP H H 106 9.873 7.919 1.954 1
1 1418 . 16 1 1 A 107 107 ASP HA H 106 4.211 4.197 0.014 1
1 1421 . 16 1 1 A 107 107 ASP C C 106 175.775 176.744 -0.969 1
1 1422 . 16 1 1 A 107 107 ASP CA C 106 54.698 55.585 -0.887 1
1 1423 . 16 1 1 A 107 107 ASP CB C 106 40.187 41.046 -0.859 1
1 1424 . 16 1 1 A 107 107 ASP N N 106 118.717 117.125 1.592 1
1 1425 . 16 1 1 A 108 108 GLY H H 107 7.971 8.227 -0.256 1
1 1426 . 16 1 1 A 108 108 GLY HA2 H 107 3.431 3.923 -0.492 1
1 1427 . 16 1 1 A 108 108 GLY HA3 H 107 4.526 3.938 0.588 1
1 1428 . 16 1 1 A 108 108 GLY C C 107 175.138 174.089 1.049 1
1 1429 . 16 1 1 A 108 108 GLY CA C 107 45.029 45.610 -0.581 1
1 1430 . 16 1 1 A 108 108 GLY N N 107 105.017 108.532 -3.515 1
1 1431 . 16 1 1 A 109 109 PHE H H 108 9.799 7.967 1.832 1
1 1432 . 16 1 1 A 109 109 PHE HA H 108 4.607 4.814 -0.207 1
1 1440 . 16 1 1 A 109 109 PHE C C 108 175.171 174.785 0.386 1
1 1441 . 16 1 1 A 109 109 PHE CA C 108 60.222 56.415 3.807 1
1 1442 . 16 1 1 A 109 109 PHE CB C 108 40.433 42.286 -1.853 1
1 1446 . 16 1 1 A 109 109 PHE N N 108 123.309 119.195 4.114 1
1 1447 . 16 1 1 A 110 110 LEU H H 109 8.061 8.668 -0.607 1
1 1448 . 16 1 1 A 110 110 LEU HA H 109 5.022 4.432 0.590 1
1 1458 . 16 1 1 A 110 110 LEU C C 109 174.033 175.998 -1.965 1
1 1459 . 16 1 1 A 110 110 LEU CA C 109 53.539 54.785 -1.246 1
1 1460 . 16 1 1 A 110 110 LEU CB C 109 45.284 42.288 2.996 1
1 1464 . 16 1 1 A 110 110 LEU N N 109 119.999 125.013 -5.014 1
1 1465 . 16 1 1 A 111 111 TYR H H 110 9.363 9.268 0.095 1
1 1466 . 16 1 1 A 111 111 TYR HA H 110 4.906 4.889 0.017 1
1 1473 . 16 1 1 A 111 111 TYR C C 110 176.538 174.821 1.717 1
1 1474 . 16 1 1 A 111 111 TYR CA C 110 59.335 56.504 2.831 1
1 1475 . 16 1 1 A 111 111 TYR CB C 110 39.485 39.965 -0.480 1
1 1478 . 16 1 1 A 111 111 TYR N N 110 126.322 123.502 2.820 1
1 1479 . 16 1 1 A 112 112 MET H H 111 9.496 8.719 0.777 1
1 1480 . 16 1 1 A 112 112 MET HA H 111 5.522 5.465 0.057 1
1 1488 . 16 1 1 A 112 112 MET C C 111 175.676 174.384 1.292 1
1 1489 . 16 1 1 A 112 112 MET CA C 111 54.216 54.457 -0.241 1
1 1490 . 16 1 1 A 112 112 MET CB C 111 36.821 37.035 -0.214 1
1 1493 . 16 1 1 A 112 112 MET N N 111 119.003 123.503 -4.500 1
1 1494 . 16 1 1 A 113 113 VAL H H 112 8.749 9.105 -0.356 1
1 1495 . 16 1 1 A 113 113 VAL HA H 112 5.967 4.932 1.035 1
1 1503 . 16 1 1 A 113 113 VAL C C 112 174.893 175.274 -0.381 1
1 1504 . 16 1 1 A 113 113 VAL CA C 112 58.896 61.210 -2.314 1
1 1505 . 16 1 1 A 113 113 VAL CB C 112 36.149 33.399 2.750 1
1 1508 . 16 1 1 A 113 113 VAL N N 112 119.658 122.517 -2.859 1
1 1509 . 16 1 1 A 114 114 TYR H H 113 8.210 8.796 -0.586 1
1 1510 . 16 1 1 A 114 114 TYR HA H 113 6.141 5.934 0.207 1
1 1517 . 16 1 1 A 114 114 TYR C C 113 173.353 174.399 -1.046 1
1 1518 . 16 1 1 A 114 114 TYR CA C 113 54.161 55.332 -1.171 1
1 1519 . 16 1 1 A 114 114 TYR CB C 113 43.538 42.111 1.427 1
1 1522 . 16 1 1 A 114 114 TYR N N 113 118.947 125.188 -6.241 1
1 1523 . 16 1 1 A 115 115 ALA H H 114 8.483 8.840 -0.357 1
1 1524 . 16 1 1 A 115 115 ALA HA H 114 4.762 4.809 -0.047 1
1 1528 . 16 1 1 A 115 115 ALA C C 114 176.033 177.214 -1.181 1
1 1529 . 16 1 1 A 115 115 ALA CA C 114 51.223 51.368 -0.145 1
1 1530 . 16 1 1 A 115 115 ALA CB C 114 24.521 22.901 1.620 1
1 1531 . 16 1 1 A 115 115 ALA N N 114 119.557 121.730 -2.173 1
1 1532 . 16 1 1 A 116 116 SER H H 115 9.835 8.849 0.986 1
1 1533 . 16 1 1 A 116 116 SER HA H 115 4.497 5.040 -0.543 1
1 1536 . 16 1 1 A 116 116 SER C C 115 172.664 174.034 -1.370 1
1 1537 . 16 1 1 A 116 116 SER CA C 115 58.669 57.906 0.763 1
1 1538 . 16 1 1 A 116 116 SER CB C 115 63.570 63.490 0.080 1
1 1539 . 16 1 1 A 116 116 SER N N 115 114.435 114.168 0.267 1
1 1540 . 16 1 1 A 117 117 GLN H H 116 7.180 7.449 -0.269 1
1 1541 . 16 1 1 A 117 117 GLN HA H 116 4.460 4.681 -0.221 1
1 1548 . 16 1 1 A 117 117 GLN C C 116 172.901 174.999 -2.098 1
1 1549 . 16 1 1 A 117 117 GLN CA C 116 53.974 54.107 -0.133 1
1 1550 . 16 1 1 A 117 117 GLN CB C 116 32.192 31.784 0.408 1
1 1553 . 16 1 1 A 117 117 GLN N N 116 116.449 117.411 -0.962 1
1 1555 . 16 1 1 A 118 118 GLU H H 117 7.878 8.517 -0.639 1
1 1556 . 16 1 1 A 118 118 GLU HA H 117 3.259 4.027 -0.768 1
1 1561 . 16 1 1 A 118 118 GLU C C 117 175.233 176.155 -0.922 1
1 1562 . 16 1 1 A 118 118 GLU CA C 117 56.890 56.261 0.629 1
1 1563 . 16 1 1 A 118 118 GLU CB C 117 30.325 30.340 -0.015 1
1 1565 . 16 1 1 A 118 118 GLU N N 117 117.687 123.265 -5.578 1
1 1566 . 16 1 1 A 119 119 THR H H 118 6.968 7.262 -0.294 1
1 1567 . 16 1 1 A 119 119 THR HA H 118 4.082 4.556 -0.474 1
1 1572 . 16 1 1 A 119 119 THR C C 118 173.134 175.009 -1.875 1
1 1573 . 16 1 1 A 119 119 THR CA C 118 60.123 60.266 -0.143 1
1 1574 . 16 1 1 A 119 119 THR CB C 118 70.147 68.540 1.607 1
1 1576 . 16 1 1 A 119 119 THR N N 118 109.548 107.639 1.909 1
1 1577 . 16 1 1 A 120 120 PHE H H 119 8.138 7.295 0.843 1
1 1578 . 16 1 1 A 120 120 PHE HA H 119 4.436 4.190 0.246 1
1 1586 . 16 1 1 A 120 120 PHE C C 119 174.902 178.054 -3.152 1
1 1587 . 16 1 1 A 120 120 PHE CA C 119 56.750 60.978 -4.228 1
1 1588 . 16 1 1 A 120 120 PHE CB C 119 39.411 38.682 0.729 1
1 1592 . 16 1 1 A 120 120 PHE N N 119 121.777 121.985 -0.208 1
1 1607 . 16 2 2 B 2 2 SER H H 332 8.471 8.247 0.224 1
1 1608 . 16 2 2 B 2 2 SER HA H 332 4.484 4.202 0.282 1
1 1611 . 16 2 2 B 2 2 SER C C 332 174.962 175.135 -0.173 1
1 1612 . 16 2 2 B 2 2 SER CA C 332 88.436 59.793 28.643 1
1 1613 . 16 2 2 B 2 2 SER CB C 332 93.927 64.048 29.879 1
1 1614 . 16 2 2 B 2 2 SER N N 332 147.261 118.972 28.289 1
1 1615 . 16 2 2 B 3 3 GLY H H 333 8.601 8.658 -0.057 1
1 1616 . 16 2 2 B 3 3 GLY HA2 H 333 4.022 4.087 -0.065 1
1 1617 . 16 2 2 B 3 3 GLY HA3 H 333 4.022 4.090 -0.068 1
1 1618 . 16 2 2 B 3 3 GLY C C 333 174.774 172.944 1.830 1
1 1619 . 16 2 2 B 3 3 GLY CA C 333 75.465 45.926 29.539 1
1 1620 . 16 2 2 B 3 3 GLY N N 333 141.077 110.495 30.582 1
1 1621 . 16 2 2 B 4 4 GLY H H 334 8.372 8.105 0.267 1
1 1622 . 16 2 2 B 4 4 GLY HA2 H 334 3.980 4.206 -0.226 1
1 1623 . 16 2 2 B 4 4 GLY HA3 H 334 3.980 4.213 -0.233 1
1 1624 . 16 2 2 B 4 4 GLY C C 334 174.758 171.673 3.085 1
1 1625 . 16 2 2 B 4 4 GLY CA C 334 75.674 46.153 29.521 1
1 1626 . 16 2 2 B 4 4 GLY N N 334 138.894 108.093 30.801 1
1 1627 . 16 2 2 B 5 5 ASP H H 335 8.429 8.556 -0.127 1
1 1628 . 16 2 2 B 5 5 ASP HA H 335 4.610 5.000 -0.390 1
1 1631 . 16 2 2 B 5 5 ASP CA C 335 85.066 53.429 31.637 1
1 1632 . 16 2 2 B 5 5 ASP CB C 335 71.191 39.834 31.357 1
1 1633 . 16 2 2 B 5 5 ASP N N 335 149.637 121.431 28.206 1
1 1634 . 16 2 2 B 6 6 ASP H H 336 8.244 8.310 -0.066 1
1 1635 . 16 2 2 B 6 6 ASP HA H 336 4.559 4.418 0.141 1
1 1638 . 16 2 2 B 6 6 ASP C C 336 175.432 176.156 -0.724 1
1 1639 . 16 2 2 B 6 6 ASP CA C 336 84.708 57.183 27.525 1
1 1640 . 16 2 2 B 6 6 ASP CB C 336 71.552 40.522 31.030 1
1 1641 . 16 2 2 B 6 6 ASP N N 336 148.885 119.902 28.983 1
1 1642 . 16 2 2 B 7 7 ASP H H 337 7.803 8.076 -0.273 1
1 1643 . 16 2 2 B 7 7 ASP HA H 337 4.655 4.868 -0.213 1
1 1646 . 16 2 2 B 7 7 ASP C C 337 175.362 176.243 -0.881 1
1 1647 . 16 2 2 B 7 7 ASP CA C 337 83.670 53.194 30.476 1
1 1648 . 16 2 2 B 7 7 ASP CB C 337 71.933 41.898 30.035 1
1 1649 . 16 2 2 B 7 7 ASP N N 337 149.563 118.134 31.429 1
1 1650 . 16 2 2 B 8 8 TRP H H 338 8.472 8.627 -0.155 1
1 1651 . 16 2 2 B 8 8 TRP HA H 338 4.174 4.267 -0.093 1
1 1660 . 16 2 2 B 8 8 TRP C C 338 175.959 176.211 -0.252 1
1 1661 . 16 2 2 B 8 8 TRP CA C 338 87.020 59.882 27.138 1
1 1662 . 16 2 2 B 8 8 TRP CB C 338 61.223 29.839 31.384 1
1 1668 . 16 2 2 B 8 8 TRP N N 338 150.172 125.479 24.693 1
1 1670 . 16 2 2 B 9 9 THR H H 339 7.994 7.654 0.340 1
1 1671 . 16 2 2 B 9 9 THR HA H 339 4.533 4.206 0.327 1
1 1676 . 16 2 2 B 9 9 THR C C 339 174.035 171.964 2.071 1
1 1677 . 16 2 2 B 9 9 THR CA C 339 92.659 59.805 32.854 1
1 1678 . 16 2 2 B 9 9 THR CB C 339 99.436 69.717 29.719 1
1 1680 . 16 2 2 B 9 9 THR N N 339 149.503 110.177 39.326 1
1 1681 . 16 2 2 B 10 10 HIS H H 340 9.463 8.499 0.964 1
1 1682 . 16 2 2 B 10 10 HIS HA H 340 4.677 5.249 -0.572 1
1 1687 . 16 2 2 B 10 10 HIS C C 340 175.606 173.522 2.084 1
1 1688 . 16 2 2 B 10 10 HIS CA C 340 87.024 53.763 33.261 1
1 1689 . 16 2 2 B 10 10 HIS CB C 340 61.368 32.469 28.899 1
1 1692 . 16 2 2 B 10 10 HIS N N 340 159.135 119.099 40.036 1
1 1693 . 16 2 2 B 11 11 LEU H H 341 8.398 9.075 -0.677 1
1 1694 . 16 2 2 B 11 11 LEU HA H 341 4.848 4.734 0.114 1
1 1704 . 16 2 2 B 11 11 LEU C C 341 175.919 175.918 0.001 1
1 1705 . 16 2 2 B 11 11 LEU CA C 341 83.684 54.230 29.454 1
1 1706 . 16 2 2 B 11 11 LEU CB C 341 73.601 41.050 32.551 1
1 1710 . 16 2 2 B 11 11 LEU N N 341 153.300 126.647 26.653 1
1 1711 . 16 2 2 B 12 12 SER H H 342 8.382 8.384 -0.002 1
1 1712 . 16 2 2 B 12 12 SER HA H 342 4.652 4.571 0.081 1
1 1715 . 16 2 2 B 12 12 SER C C 342 174.263 175.711 -1.448 1
1 1716 . 16 2 2 B 12 12 SER CA C 342 86.841 58.922 27.919 1
1 1717 . 16 2 2 B 12 12 SER CB C 342 95.113 63.757 31.356 1
1 1718 . 16 2 2 B 12 12 SER N N 342 144.018 121.575 22.443 1
1 1719 . 16 2 2 B 13 13 SER H H 343 8.937 8.887 0.050 1
1 1720 . 16 2 2 B 13 13 SER HA H 343 4.291 4.512 -0.221 1
1 1723 . 16 2 2 B 13 13 SER C C 343 174.652 175.077 -0.425 1
1 1724 . 16 2 2 B 13 13 SER CA C 343 89.546 59.353 30.193 1
1 1725 . 16 2 2 B 13 13 SER CB C 343 93.470 63.561 29.909 1
1 1726 . 16 2 2 B 13 13 SER N N 343 148.575 116.996 31.579 1
1 1727 . 16 2 2 B 14 14 LYS H H 344 8.250 8.138 0.112 1
1 1728 . 16 2 2 B 14 14 LYS HA H 344 4.319 4.243 0.076 1
1 1737 . 16 2 2 B 14 14 LYS C C 344 176.699 178.160 -1.461 1
1 1738 . 16 2 2 B 14 14 LYS CA C 344 86.716 58.273 28.443 1
1 1739 . 16 2 2 B 14 14 LYS CB C 344 62.831 33.515 29.316 1
1 1743 . 16 2 2 B 14 14 LYS N N 344 151.908 121.072 30.836 1
1 1744 . 16 2 2 B 15 15 GLU H H 345 8.256 7.911 0.345 1
1 1745 . 16 2 2 B 15 15 GLU HA H 345 4.240 4.298 -0.058 1
1 1750 . 16 2 2 B 15 15 GLU C C 345 176.152 176.406 -0.254 1
1 1751 . 16 2 2 B 15 15 GLU CA C 345 87.152 57.978 29.174 1
1 1752 . 16 2 2 B 15 15 GLU CB C 345 60.176 30.050 30.126 1
1 1754 . 16 2 2 B 15 15 GLU N N 345 150.679 118.501 32.178 1
1 1755 . 16 2 2 B 16 16 VAL H H 346 7.762 7.391 0.371 1
1 1756 . 16 2 2 B 16 16 VAL HA H 346 4.161 4.078 0.083 1
1 1764 . 16 2 2 B 16 16 VAL C C 346 174.646 175.241 -0.595 1
1 1765 . 16 2 2 B 16 16 VAL CA C 346 91.707 61.838 29.869 1
1 1766 . 16 2 2 B 16 16 VAL CB C 346 63.107 33.200 29.907 1
1 1769 . 16 2 2 B 16 16 VAL N N 346 146.718 117.687 29.031 1
1 9 . 17 1 1 A 2 2 MET H H 1 8.414 7.983 0.431 1
1 10 . 17 1 1 A 2 2 MET HA H 1 4.826 4.859 -0.033 1
1 18 . 17 1 1 A 2 2 MET CA C 1 53.382 53.476 -0.094 1
1 19 . 17 1 1 A 2 2 MET CB C 1 32.478 34.818 -2.340 1
1 22 . 17 1 1 A 2 2 MET N N 1 122.882 119.116 3.766 1
1 23 . 17 1 1 A 3 3 PRO HA H 2 4.425 4.443 -0.018 1
1 30 . 17 1 1 A 3 3 PRO C C 2 176.847 176.245 0.602 1
1 31 . 17 1 1 A 3 3 PRO CA C 2 63.386 65.093 -1.707 1
1 32 . 17 1 1 A 3 3 PRO CB C 2 32.077 32.136 -0.059 1
1 35 . 17 1 1 A 4 4 SER H H 3 8.347 7.819 0.528 1
1 36 . 17 1 1 A 4 4 SER HA H 3 4.391 4.768 -0.377 1
1 39 . 17 1 1 A 4 4 SER C C 3 174.643 173.190 1.453 1
1 40 . 17 1 1 A 4 4 SER CA C 3 58.336 56.823 1.513 1
1 41 . 17 1 1 A 4 4 SER CB C 3 63.798 64.498 -0.700 1
1 42 . 17 1 1 A 4 4 SER N N 3 115.234 109.303 5.931 1
1 43 . 17 1 1 A 5 5 GLU H H 4 8.472 8.568 -0.096 1
1 44 . 17 1 1 A 5 5 GLU HA H 4 4.297 4.643 -0.346 1
1 49 . 17 1 1 A 5 5 GLU C C 4 176.352 176.533 -0.181 1
1 50 . 17 1 1 A 5 5 GLU CA C 4 56.572 55.861 0.711 1
1 51 . 17 1 1 A 5 5 GLU CB C 4 30.285 31.201 -0.916 1
1 53 . 17 1 1 A 5 5 GLU N N 4 123.045 125.737 -2.692 1
1 54 . 17 1 1 A 6 6 LYS H H 5 8.214 8.453 -0.239 1
1 55 . 17 1 1 A 6 6 LYS HA H 5 4.500 4.417 0.083 1
1 64 . 17 1 1 A 6 6 LYS C C 5 177.243 176.091 1.152 1
1 65 . 17 1 1 A 6 6 LYS CA C 5 55.943 56.111 -0.168 1
1 66 . 17 1 1 A 6 6 LYS CB C 5 34.621 33.550 1.071 1
1 70 . 17 1 1 A 6 6 LYS N N 5 121.467 126.822 -5.355 1
1 71 . 17 1 1 A 7 7 THR H H 6 8.431 8.386 0.045 1
1 72 . 17 1 1 A 7 7 THR HA H 6 4.383 4.826 -0.443 1
1 77 . 17 1 1 A 7 7 THR C C 6 175.360 175.622 -0.262 1
1 78 . 17 1 1 A 7 7 THR CA C 6 61.124 59.721 1.403 1
1 79 . 17 1 1 A 7 7 THR CB C 6 69.863 70.658 -0.795 1
1 81 . 17 1 1 A 7 7 THR N N 6 114.691 115.018 -0.327 1
1 82 . 17 1 1 A 8 8 PHE H H 7 10.194 9.378 0.816 1
1 83 . 17 1 1 A 8 8 PHE HA H 7 3.904 4.215 -0.311 1
1 88 . 17 1 1 A 8 8 PHE C C 7 177.000 177.594 -0.594 1
1 89 . 17 1 1 A 8 8 PHE CA C 7 63.388 60.808 2.580 1
1 90 . 17 1 1 A 8 8 PHE CB C 7 39.586 38.860 0.726 1
1 92 . 17 1 1 A 8 8 PHE N N 7 124.861 127.740 -2.879 1
1 93 . 17 1 1 A 9 9 LYS H H 8 8.707 8.234 0.473 1
1 94 . 17 1 1 A 9 9 LYS HA H 8 3.761 4.041 -0.280 1
1 103 . 17 1 1 A 9 9 LYS C C 8 177.496 178.870 -1.374 1
1 104 . 17 1 1 A 9 9 LYS CA C 8 59.945 59.247 0.698 1
1 105 . 17 1 1 A 9 9 LYS CB C 8 33.870 32.028 1.842 1
1 109 . 17 1 1 A 9 9 LYS N N 8 114.189 117.398 -3.209 1
1 110 . 17 1 1 A 10 10 GLN H H 9 7.284 8.261 -0.977 1
1 111 . 17 1 1 A 10 10 GLN HA H 9 4.113 4.194 -0.081 1
1 118 . 17 1 1 A 10 10 GLN C C 9 177.416 178.140 -0.724 1
1 119 . 17 1 1 A 10 10 GLN CA C 9 56.743 58.053 -1.310 1
1 120 . 17 1 1 A 10 10 GLN CB C 9 30.002 29.048 0.954 1
1 123 . 17 1 1 A 10 10 GLN N N 9 112.843 119.157 -6.314 1
1 125 . 17 1 1 A 11 11 ARG H H 10 7.889 8.373 -0.484 1
1 126 . 17 1 1 A 11 11 ARG HA H 10 4.255 3.991 0.264 1
1 133 . 17 1 1 A 11 11 ARG C C 10 175.059 176.809 -1.750 1
1 134 . 17 1 1 A 11 11 ARG CA C 10 57.018 59.524 -2.506 1
1 135 . 17 1 1 A 11 11 ARG CB C 10 31.628 30.346 1.282 1
1 138 . 17 1 1 A 11 11 ARG N N 10 117.567 120.829 -3.262 1
1 139 . 17 1 1 A 12 12 ARG H H 11 7.443 7.795 -0.352 1
1 140 . 17 1 1 A 12 12 ARG HA H 11 4.493 4.260 0.233 1
1 147 . 17 1 1 A 12 12 ARG CA C 11 54.172 56.677 -2.505 1
1 148 . 17 1 1 A 12 12 ARG CB C 11 32.857 30.626 2.231 1
1 151 . 17 1 1 A 12 12 ARG N N 11 122.786 120.354 2.432 1
1 152 . 17 1 1 A 13 13 SER HA H 12 4.403 4.694 -0.291 1
1 155 . 17 1 1 A 13 13 SER C C 12 174.222 175.228 -1.006 1
1 156 . 17 1 1 A 13 13 SER CA C 12 58.274 58.153 0.121 1
1 157 . 17 1 1 A 13 13 SER CB C 12 64.821 63.928 0.893 1
1 158 . 17 1 1 A 14 14 PHE H H 13 9.239 9.289 -0.050 1
1 159 . 17 1 1 A 14 14 PHE HA H 13 4.035 4.135 -0.100 1
1 165 . 17 1 1 A 14 14 PHE C C 13 176.023 176.936 -0.913 1
1 166 . 17 1 1 A 14 14 PHE CA C 13 62.790 62.712 0.078 1
1 167 . 17 1 1 A 14 14 PHE CB C 13 39.580 39.866 -0.286 1
1 169 . 17 1 1 A 14 14 PHE N N 13 123.729 122.907 0.822 1
1 170 . 17 1 1 A 15 15 GLU H H 14 9.093 8.567 0.526 1
1 171 . 17 1 1 A 15 15 GLU HA H 14 3.813 3.866 -0.053 1
1 176 . 17 1 1 A 15 15 GLU C C 14 179.549 179.417 0.132 1
1 177 . 17 1 1 A 15 15 GLU CA C 14 60.444 59.868 0.576 1
1 178 . 17 1 1 A 15 15 GLU CB C 14 28.804 29.346 -0.542 1
1 180 . 17 1 1 A 15 15 GLU N N 14 115.336 117.612 -2.276 1
1 181 . 17 1 1 A 16 16 GLN H H 15 7.752 8.240 -0.488 1
1 182 . 17 1 1 A 16 16 GLN HA H 15 4.044 4.154 -0.110 1
1 189 . 17 1 1 A 16 16 GLN C C 15 177.931 178.893 -0.962 1
1 190 . 17 1 1 A 16 16 GLN CA C 15 58.486 59.126 -0.640 1
1 191 . 17 1 1 A 16 16 GLN CB C 15 29.393 28.428 0.965 1
1 194 . 17 1 1 A 16 16 GLN N N 15 119.145 118.956 0.189 1
1 196 . 17 1 1 A 17 17 ARG H H 16 8.577 8.204 0.373 1
1 197 . 17 1 1 A 17 17 ARG HA H 16 4.280 4.287 -0.007 1
1 202 . 17 1 1 A 17 17 ARG C C 16 177.128 178.838 -1.710 1
1 203 . 17 1 1 A 17 17 ARG CA C 16 61.442 58.875 2.567 1
1 204 . 17 1 1 A 17 17 ARG N N 16 121.288 119.309 1.979 1
1 205 . 17 1 1 A 18 18 VAL H H 17 8.329 7.851 0.478 1
1 206 . 17 1 1 A 18 18 VAL HA H 17 3.938 3.667 0.271 1
1 214 . 17 1 1 A 18 18 VAL C C 17 179.744 177.576 2.168 1
1 215 . 17 1 1 A 18 18 VAL CA C 17 65.441 65.775 -0.334 1
1 216 . 17 1 1 A 18 18 VAL CB C 17 32.080 31.689 0.391 1
1 219 . 17 1 1 A 18 18 VAL N N 17 116.752 120.217 -3.465 1
1 220 . 17 1 1 A 19 19 GLU H H 18 7.445 8.829 -1.384 1
1 221 . 17 1 1 A 19 19 GLU HA H 18 4.270 3.847 0.423 1
1 226 . 17 1 1 A 19 19 GLU C C 18 177.625 178.521 -0.896 1
1 227 . 17 1 1 A 19 19 GLU CA C 18 58.637 59.928 -1.291 1
1 228 . 17 1 1 A 19 19 GLU CB C 18 29.398 29.119 0.279 1
1 230 . 17 1 1 A 19 19 GLU N N 18 120.323 120.563 -0.240 1
1 231 . 17 1 1 A 20 20 ASP H H 19 8.690 8.390 0.300 1
1 232 . 17 1 1 A 20 20 ASP HA H 19 4.514 4.420 0.094 1
1 235 . 17 1 1 A 20 20 ASP C C 19 179.877 178.319 1.558 1
1 236 . 17 1 1 A 20 20 ASP CA C 19 57.224 57.041 0.183 1
1 237 . 17 1 1 A 20 20 ASP CB C 19 41.487 42.142 -0.655 1
1 238 . 17 1 1 A 20 20 ASP N N 19 120.313 120.232 0.081 1
1 239 . 17 1 1 A 21 21 VAL H H 20 7.731 7.469 0.262 1
1 240 . 17 1 1 A 21 21 VAL HA H 20 3.394 3.377 0.017 1
1 248 . 17 1 1 A 21 21 VAL C C 20 176.989 177.666 -0.677 1
1 249 . 17 1 1 A 21 21 VAL CA C 20 65.989 66.576 -0.587 1
1 250 . 17 1 1 A 21 21 VAL CB C 20 31.291 30.990 0.301 1
1 253 . 17 1 1 A 21 21 VAL N N 20 119.119 118.983 0.136 1
1 254 . 17 1 1 A 22 22 ARG H H 21 8.313 8.331 -0.018 1
1 255 . 17 1 1 A 22 22 ARG HA H 21 3.825 3.966 -0.141 1
1 263 . 17 1 1 A 22 22 ARG C C 21 180.178 178.441 1.737 1
1 264 . 17 1 1 A 22 22 ARG CA C 21 59.821 59.077 0.744 1
1 265 . 17 1 1 A 22 22 ARG CB C 21 30.164 29.802 0.362 1
1 269 . 17 1 1 A 22 22 ARG N N 21 120.772 120.695 0.077 1
1 271 . 17 1 1 A 23 23 LEU H H 22 8.306 7.681 0.625 1
1 272 . 17 1 1 A 23 23 LEU HA H 22 4.076 3.984 0.092 1
1 282 . 17 1 1 A 23 23 LEU C C 22 180.221 179.096 1.125 1
1 283 . 17 1 1 A 23 23 LEU CA C 22 57.541 57.766 -0.225 1
1 284 . 17 1 1 A 23 23 LEU CB C 22 42.300 41.837 0.463 1
1 288 . 17 1 1 A 23 23 LEU N N 22 116.413 119.177 -2.764 1
1 289 . 17 1 1 A 24 24 ILE H H 23 7.864 7.931 -0.067 1
1 290 . 17 1 1 A 24 24 ILE HA H 23 4.090 3.857 0.233 1
1 300 . 17 1 1 A 24 24 ILE C C 23 177.922 178.601 -0.679 1
1 301 . 17 1 1 A 24 24 ILE CA C 23 60.190 64.353 -4.163 1
1 302 . 17 1 1 A 24 24 ILE CB C 23 38.072 37.416 0.656 1
1 306 . 17 1 1 A 24 24 ILE N N 23 121.259 118.517 2.742 1
1 307 . 17 1 1 A 25 25 ARG H H 24 8.339 8.244 0.095 1
1 308 . 17 1 1 A 25 25 ARG HA H 24 3.973 4.011 -0.038 1
1 316 . 17 1 1 A 25 25 ARG C C 24 178.479 178.161 0.318 1
1 317 . 17 1 1 A 25 25 ARG CA C 24 57.337 59.282 -1.945 1
1 318 . 17 1 1 A 25 25 ARG CB C 24 28.663 30.021 -1.358 1
1 322 . 17 1 1 A 25 25 ARG N N 24 121.816 122.063 -0.247 1
1 324 . 17 1 1 A 26 26 GLU H H 25 7.133 8.487 -1.354 1
1 325 . 17 1 1 A 26 26 GLU HA H 25 4.052 4.251 -0.199 1
1 330 . 17 1 1 A 26 26 GLU C C 25 178.158 177.114 1.044 1
1 331 . 17 1 1 A 26 26 GLU CA C 25 58.367 57.167 1.200 1
1 332 . 17 1 1 A 26 26 GLU CB C 25 29.903 30.025 -0.122 1
1 334 . 17 1 1 A 26 26 GLU N N 25 116.794 116.957 -0.163 1
1 335 . 17 1 1 A 27 27 GLN H H 26 7.283 7.955 -0.672 1
1 336 . 17 1 1 A 27 27 GLN HA H 26 3.888 4.395 -0.507 1
1 343 . 17 1 1 A 27 27 GLN C C 26 176.088 175.746 0.342 1
1 344 . 17 1 1 A 27 27 GLN CA C 26 57.676 56.277 1.399 1
1 345 . 17 1 1 A 27 27 GLN CB C 26 30.382 31.027 -0.645 1
1 348 . 17 1 1 A 27 27 GLN N N 26 116.373 117.517 -1.144 1
1 350 . 17 1 1 A 28 28 HIS H H 27 8.223 8.269 -0.046 1
1 351 . 17 1 1 A 28 28 HIS HA H 27 4.941 5.058 -0.117 1
1 356 . 17 1 1 A 28 28 HIS CA C 27 53.278 53.346 -0.068 1
1 357 . 17 1 1 A 28 28 HIS CB C 27 30.933 29.641 1.292 1
1 360 . 17 1 1 A 28 28 HIS N N 27 115.408 116.286 -0.878 1
1 361 . 17 1 1 A 29 29 PRO HA H 28 4.562 4.320 0.242 1
1 368 . 17 1 1 A 29 29 PRO C C 28 178.046 177.945 0.101 1
1 369 . 17 1 1 A 29 29 PRO CA C 28 64.821 64.608 0.213 1
1 370 . 17 1 1 A 29 29 PRO CB C 28 32.447 31.961 0.486 1
1 373 . 17 1 1 A 30 30 THR H H 29 7.820 7.718 0.102 1
1 374 . 17 1 1 A 30 30 THR HA H 29 4.583 4.297 0.286 1
1 379 . 17 1 1 A 30 30 THR C C 29 172.723 173.419 -0.696 1
1 380 . 17 1 1 A 30 30 THR CA C 29 60.826 62.021 -1.195 1
1 381 . 17 1 1 A 30 30 THR CB C 29 68.641 69.187 -0.546 1
1 383 . 17 1 1 A 30 30 THR N N 29 106.682 107.883 -1.201 1
1 384 . 17 1 1 A 31 31 LYS H H 30 7.453 7.162 0.291 1
1 385 . 17 1 1 A 31 31 LYS HA H 30 4.850 4.900 -0.050 1
1 394 . 17 1 1 A 31 31 LYS C C 30 174.296 174.992 -0.696 1
1 395 . 17 1 1 A 31 31 LYS CA C 30 53.944 54.575 -0.631 1
1 396 . 17 1 1 A 31 31 LYS CB C 30 36.098 36.809 -0.711 1
1 400 . 17 1 1 A 31 31 LYS N N 30 117.809 120.091 -2.282 1
1 401 . 17 1 1 A 32 32 ILE H H 31 9.265 9.379 -0.114 1
1 402 . 17 1 1 A 32 32 ILE HA H 31 4.106 4.247 -0.141 1
1 412 . 17 1 1 A 32 32 ILE CA C 31 54.606 57.675 -3.069 1
1 413 . 17 1 1 A 32 32 ILE CB C 31 38.448 39.315 -0.867 1
1 417 . 17 1 1 A 32 32 ILE N N 31 122.497 122.128 0.369 1
1 418 . 17 1 1 A 33 33 PRO HA H 32 5.252 5.003 0.249 1
1 425 . 17 1 1 A 33 33 PRO C C 32 174.652 176.801 -2.149 1
1 426 . 17 1 1 A 33 33 PRO CA C 32 61.704 62.605 -0.901 1
1 427 . 17 1 1 A 33 33 PRO CB C 32 31.873 32.034 -0.161 1
1 430 . 17 1 1 A 34 34 VAL H H 33 9.359 8.157 1.202 1
1 431 . 17 1 1 A 34 34 VAL HA H 33 5.298 5.100 0.198 1
1 439 . 17 1 1 A 34 34 VAL C C 33 173.633 174.756 -1.123 1
1 440 . 17 1 1 A 34 34 VAL CA C 33 59.830 59.514 0.316 1
1 441 . 17 1 1 A 34 34 VAL CB C 33 36.154 36.203 -0.049 1
1 444 . 17 1 1 A 34 34 VAL N N 33 124.496 116.588 7.908 1
1 445 . 17 1 1 A 35 35 ILE H H 34 8.667 9.221 -0.554 1
1 446 . 17 1 1 A 35 35 ILE HA H 34 4.867 4.993 -0.126 1
1 456 . 17 1 1 A 35 35 ILE C C 34 175.770 174.916 0.854 1
1 457 . 17 1 1 A 35 35 ILE CA C 34 56.320 60.438 -4.118 1
1 458 . 17 1 1 A 35 35 ILE CB C 34 36.909 39.601 -2.692 1
1 462 . 17 1 1 A 35 35 ILE N N 34 127.447 122.006 5.441 1
1 463 . 17 1 1 A 36 36 ILE H H 35 8.422 8.673 -0.251 1
1 464 . 17 1 1 A 36 36 ILE HA H 35 4.890 4.832 0.058 1
1 474 . 17 1 1 A 36 36 ILE C C 35 175.098 175.726 -0.628 1
1 475 . 17 1 1 A 36 36 ILE CA C 35 60.806 60.592 0.214 1
1 476 . 17 1 1 A 36 36 ILE CB C 35 39.357 38.069 1.288 1
1 480 . 17 1 1 A 36 36 ILE N N 35 124.267 128.841 -4.574 1
1 481 . 17 1 1 A 37 37 GLU H H 36 8.335 8.761 -0.426 1
1 482 . 17 1 1 A 37 37 GLU HA H 36 4.820 4.787 0.033 1
1 487 . 17 1 1 A 37 37 GLU C C 36 173.502 175.759 -2.257 1
1 488 . 17 1 1 A 37 37 GLU CA C 36 54.214 54.103 0.111 1
1 489 . 17 1 1 A 37 37 GLU CB C 36 35.547 33.620 1.927 1
1 491 . 17 1 1 A 37 37 GLU N N 36 123.296 125.795 -2.499 1
1 492 . 17 1 1 A 38 38 ARG H H 37 8.891 8.164 0.727 1
1 493 . 17 1 1 A 38 38 ARG HA H 37 2.755 3.304 -0.549 1
1 501 . 17 1 1 A 38 38 ARG C C 37 176.165 175.320 0.845 1
1 502 . 17 1 1 A 38 38 ARG CA C 37 56.235 55.981 0.254 1
1 503 . 17 1 1 A 38 38 ARG CB C 37 31.328 30.138 1.190 1
1 507 . 17 1 1 A 38 38 ARG N N 37 123.143 121.208 1.935 1
1 509 . 17 1 1 A 39 39 TYR H H 38 8.681 7.748 0.933 1
1 510 . 17 1 1 A 39 39 TYR HA H 38 4.331 4.436 -0.105 1
1 517 . 17 1 1 A 39 39 TYR C C 38 177.064 175.173 1.891 1
1 518 . 17 1 1 A 39 39 TYR CA C 38 57.769 59.057 -1.288 1
1 519 . 17 1 1 A 39 39 TYR CB C 38 39.552 39.031 0.521 1
1 522 . 17 1 1 A 39 39 TYR N N 38 128.699 122.937 5.762 1
1 523 . 17 1 1 A 40 40 LYS H H 39 8.454 7.800 0.654 1
1 524 . 17 1 1 A 40 40 LYS HA H 39 3.841 3.875 -0.034 1
1 533 . 17 1 1 A 40 40 LYS C C 39 176.290 176.569 -0.279 1
1 534 . 17 1 1 A 40 40 LYS CA C 39 58.772 56.547 2.225 1
1 535 . 17 1 1 A 40 40 LYS CB C 39 31.738 31.472 0.266 1
1 539 . 17 1 1 A 40 40 LYS N N 39 130.022 122.656 7.366 1
1 540 . 17 1 1 A 41 41 GLY H H 40 5.457 8.657 -3.200 1
1 541 . 17 1 1 A 41 41 GLY HA2 H 40 3.306 3.922 -0.616 1
1 542 . 17 1 1 A 41 41 GLY HA3 H 40 3.999 3.957 0.042 1
1 543 . 17 1 1 A 41 41 GLY C C 40 173.426 174.460 -1.034 1
1 544 . 17 1 1 A 41 41 GLY CA C 40 44.673 45.461 -0.788 1
1 545 . 17 1 1 A 41 41 GLY N N 40 104.628 112.959 -8.331 1
1 546 . 17 1 1 A 42 42 GLU H H 41 7.440 8.201 -0.761 1
1 547 . 17 1 1 A 42 42 GLU HA H 41 4.278 4.524 -0.246 1
1 552 . 17 1 1 A 42 42 GLU C C 41 176.306 176.406 -0.100 1
1 553 . 17 1 1 A 42 42 GLU CA C 41 56.358 56.322 0.036 1
1 554 . 17 1 1 A 42 42 GLU CB C 41 31.014 29.687 1.327 1
1 556 . 17 1 1 A 42 42 GLU N N 41 122.648 121.013 1.635 1
1 557 . 17 1 1 A 43 43 LYS H H 42 8.912 8.457 0.455 1
1 558 . 17 1 1 A 43 43 LYS HA H 42 4.680 4.640 0.040 1
1 567 . 17 1 1 A 43 43 LYS C C 42 177.063 178.335 -1.272 1
1 568 . 17 1 1 A 43 43 LYS CA C 42 55.652 56.299 -0.647 1
1 569 . 17 1 1 A 43 43 LYS CB C 42 34.871 34.107 0.764 1
1 573 . 17 1 1 A 43 43 LYS N N 42 123.569 122.990 0.579 1
1 574 . 17 1 1 A 44 44 GLN H H 43 8.446 8.118 0.328 1
1 575 . 17 1 1 A 44 44 GLN HA H 43 4.545 4.049 0.496 1
1 582 . 17 1 1 A 44 44 GLN C C 43 177.152 177.009 0.143 1
1 583 . 17 1 1 A 44 44 GLN CA C 43 57.561 58.700 -1.139 1
1 584 . 17 1 1 A 44 44 GLN CB C 43 30.671 28.655 2.016 1
1 587 . 17 1 1 A 44 44 GLN N N 43 118.990 118.450 0.540 1
1 589 . 17 1 1 A 45 45 LEU H H 44 9.043 8.287 0.756 1
1 590 . 17 1 1 A 45 45 LEU HA H 44 4.716 4.464 0.252 1
1 600 . 17 1 1 A 45 45 LEU CA C 44 53.078 53.828 -0.750 1
1 601 . 17 1 1 A 45 45 LEU CB C 44 43.614 41.916 1.698 1
1 605 . 17 1 1 A 45 45 LEU N N 44 120.375 120.245 0.130 1
1 606 . 17 1 1 A 46 46 PRO HA H 45 4.723 4.626 0.097 1
1 613 . 17 1 1 A 46 46 PRO C C 45 175.883 176.201 -0.318 1
1 614 . 17 1 1 A 46 46 PRO CA C 45 62.005 62.225 -0.220 1
1 615 . 17 1 1 A 46 46 PRO CB C 45 32.609 32.393 0.216 1
1 618 . 17 1 1 A 47 47 VAL H H 46 8.437 8.460 -0.023 1
1 619 . 17 1 1 A 47 47 VAL HA H 46 3.914 4.527 -0.613 1
1 627 . 17 1 1 A 47 47 VAL C C 46 175.367 176.119 -0.752 1
1 628 . 17 1 1 A 47 47 VAL CA C 46 62.700 61.923 0.777 1
1 629 . 17 1 1 A 47 47 VAL CB C 46 32.927 31.247 1.680 1
1 632 . 17 1 1 A 47 47 VAL N N 46 118.440 121.807 -3.367 1
1 633 . 17 1 1 A 48 48 LEU H H 47 7.863 8.682 -0.819 1
1 634 . 17 1 1 A 48 48 LEU HA H 47 4.384 4.084 0.300 1
1 644 . 17 1 1 A 48 48 LEU C C 47 176.088 178.008 -1.920 1
1 645 . 17 1 1 A 48 48 LEU CA C 47 54.851 56.000 -1.149 1
1 646 . 17 1 1 A 48 48 LEU CB C 47 43.841 43.975 -0.134 1
1 650 . 17 1 1 A 48 48 LEU N N 47 129.127 129.558 -0.431 1
1 651 . 17 1 1 A 49 49 ASP H H 48 8.699 8.577 0.122 1
1 652 . 17 1 1 A 49 49 ASP HA H 48 4.293 4.388 -0.095 1
1 655 . 17 1 1 A 49 49 ASP C C 48 175.121 176.500 -1.379 1
1 656 . 17 1 1 A 49 49 ASP CA C 48 55.717 57.464 -1.747 1
1 657 . 17 1 1 A 49 49 ASP CB C 48 40.260 41.250 -0.990 1
1 658 . 17 1 1 A 49 49 ASP N N 48 121.389 124.027 -2.638 1
1 659 . 17 1 1 A 50 50 LYS H H 49 7.251 7.609 -0.358 1
1 660 . 17 1 1 A 50 50 LYS HA H 49 4.540 4.730 -0.190 1
1 669 . 17 1 1 A 50 50 LYS C C 49 174.664 176.147 -1.483 1
1 670 . 17 1 1 A 50 50 LYS CA C 49 53.211 54.294 -1.083 1
1 671 . 17 1 1 A 50 50 LYS CB C 49 35.514 35.819 -0.305 1
1 675 . 17 1 1 A 50 50 LYS N N 49 118.260 116.441 1.819 1
1 676 . 17 1 1 A 51 51 THR H H 50 8.162 8.272 -0.110 1
1 677 . 17 1 1 A 51 51 THR HA H 50 4.685 4.788 -0.103 1
1 682 . 17 1 1 A 51 51 THR C C 50 171.631 174.382 -2.751 1
1 683 . 17 1 1 A 51 51 THR CA C 50 63.581 62.598 0.983 1
1 684 . 17 1 1 A 51 51 THR CB C 50 71.587 70.301 1.286 1
1 686 . 17 1 1 A 51 51 THR N N 50 112.535 113.874 -1.339 1
1 687 . 17 1 1 A 52 52 LYS H H 51 6.971 7.653 -0.682 1
1 688 . 17 1 1 A 52 52 LYS HA H 51 4.443 5.127 -0.684 1
1 697 . 17 1 1 A 52 52 LYS C C 51 175.417 175.743 -0.326 1
1 698 . 17 1 1 A 52 52 LYS CA C 51 55.209 55.095 0.114 1
1 699 . 17 1 1 A 52 52 LYS CB C 51 33.309 34.792 -1.483 1
1 703 . 17 1 1 A 52 52 LYS N N 51 120.227 119.946 0.281 1
1 704 . 17 1 1 A 53 53 PHE H H 52 9.688 8.963 0.725 1
1 705 . 17 1 1 A 53 53 PHE HA H 52 5.675 4.986 0.689 1
1 712 . 17 1 1 A 53 53 PHE C C 52 174.348 174.671 -0.323 1
1 713 . 17 1 1 A 53 53 PHE CA C 52 56.625 56.636 -0.011 1
1 714 . 17 1 1 A 53 53 PHE CB C 52 43.109 43.351 -0.242 1
1 716 . 17 1 1 A 53 53 PHE N N 52 124.646 121.331 3.315 1
1 717 . 17 1 1 A 54 54 LEU H H 53 8.470 9.061 -0.591 1
1 718 . 17 1 1 A 54 54 LEU HA H 53 5.044 4.830 0.214 1
1 728 . 17 1 1 A 54 54 LEU C C 53 176.144 175.106 1.038 1
1 729 . 17 1 1 A 54 54 LEU CA C 53 52.954 53.160 -0.206 1
1 730 . 17 1 1 A 54 54 LEU CB C 53 45.081 42.239 2.842 1
1 734 . 17 1 1 A 54 54 LEU N N 53 119.430 123.928 -4.498 1
1 735 . 17 1 1 A 55 55 VAL H H 54 8.802 8.658 0.144 1
1 736 . 17 1 1 A 55 55 VAL HA H 54 4.640 4.706 -0.066 1
1 744 . 17 1 1 A 55 55 VAL CA C 54 58.549 59.927 -1.378 1
1 745 . 17 1 1 A 55 55 VAL CB C 54 35.342 33.600 1.742 1
1 748 . 17 1 1 A 55 55 VAL N N 54 123.841 125.324 -1.483 1
1 749 . 17 1 1 A 56 56 PRO HA H 55 4.439 4.737 -0.298 1
1 756 . 17 1 1 A 56 56 PRO C C 55 176.666 176.791 -0.125 1
1 757 . 17 1 1 A 56 56 PRO CA C 55 64.256 62.513 1.743 1
1 758 . 17 1 1 A 56 56 PRO CB C 55 32.783 31.938 0.845 1
1 761 . 17 1 1 A 57 57 ASP H H 56 8.412 8.216 0.196 1
1 762 . 17 1 1 A 57 57 ASP HA H 56 3.848 4.581 -0.733 1
1 765 . 17 1 1 A 57 57 ASP C C 56 175.417 176.682 -1.265 1
1 766 . 17 1 1 A 57 57 ASP CA C 56 56.616 53.866 2.750 1
1 767 . 17 1 1 A 57 57 ASP CB C 56 40.410 39.758 0.652 1
1 768 . 17 1 1 A 57 57 ASP N N 56 120.415 122.890 -2.475 1
1 769 . 17 1 1 A 58 58 HIS H H 57 7.373 8.348 -0.975 1
1 770 . 17 1 1 A 58 58 HIS HA H 57 4.770 4.884 -0.114 1
1 775 . 17 1 1 A 58 58 HIS C C 57 176.594 174.163 2.431 1
1 776 . 17 1 1 A 58 58 HIS CA C 57 55.584 55.119 0.465 1
1 777 . 17 1 1 A 58 58 HIS CB C 57 30.628 31.217 -0.589 1
1 780 . 17 1 1 A 58 58 HIS N N 57 113.439 114.545 -1.106 1
1 781 . 17 1 1 A 59 59 VAL H H 58 7.249 7.655 -0.406 1
1 782 . 17 1 1 A 59 59 VAL HA H 58 3.903 4.770 -0.867 1
1 790 . 17 1 1 A 59 59 VAL C C 58 175.014 174.724 0.290 1
1 791 . 17 1 1 A 59 59 VAL CA C 58 62.726 59.074 3.652 1
1 792 . 17 1 1 A 59 59 VAL CB C 58 32.190 36.265 -4.075 1
1 795 . 17 1 1 A 59 59 VAL N N 58 122.597 115.738 6.859 1
1 796 . 17 1 1 A 60 60 ASN H H 59 8.677 8.641 0.036 1
1 797 . 17 1 1 A 60 60 ASN HA H 59 5.187 5.153 0.034 1
1 802 . 17 1 1 A 60 60 ASN C C 59 176.477 176.490 -0.013 1
1 803 . 17 1 1 A 60 60 ASN CA C 59 51.181 51.685 -0.504 1
1 804 . 17 1 1 A 60 60 ASN CB C 59 39.947 41.046 -1.099 1
1 806 . 17 1 1 A 60 60 ASN N N 59 122.962 118.692 4.270 1
1 808 . 17 1 1 A 61 61 MET H H 60 8.038 8.464 -0.426 1
1 809 . 17 1 1 A 61 61 MET HA H 60 4.426 4.230 0.196 1
1 817 . 17 1 1 A 61 61 MET C C 60 177.996 178.597 -0.601 1
1 818 . 17 1 1 A 61 61 MET CA C 60 57.118 58.268 -1.150 1
1 819 . 17 1 1 A 61 61 MET CB C 60 29.998 32.005 -2.007 1
1 822 . 17 1 1 A 61 61 MET N N 60 116.814 122.037 -5.223 1
1 823 . 17 1 1 A 62 62 SER H H 61 8.401 8.152 0.249 1
1 824 . 17 1 1 A 62 62 SER HA H 61 4.132 4.148 -0.016 1
1 827 . 17 1 1 A 62 62 SER C C 61 177.255 177.366 -0.111 1
1 828 . 17 1 1 A 62 62 SER CA C 61 61.559 61.539 0.020 1
1 829 . 17 1 1 A 62 62 SER CB C 61 62.430 62.832 -0.402 1
1 830 . 17 1 1 A 62 62 SER N N 61 114.109 115.184 -1.075 1
1 831 . 17 1 1 A 63 63 GLU H H 62 8.014 7.668 0.346 1
1 832 . 17 1 1 A 63 63 GLU HA H 62 4.016 4.076 -0.060 1
1 837 . 17 1 1 A 63 63 GLU C C 62 178.327 179.488 -1.161 1
1 838 . 17 1 1 A 63 63 GLU CA C 62 58.787 59.255 -0.468 1
1 839 . 17 1 1 A 63 63 GLU CB C 62 29.814 29.142 0.672 1
1 841 . 17 1 1 A 63 63 GLU N N 62 122.806 122.259 0.547 1
1 842 . 17 1 1 A 64 64 LEU H H 63 8.254 7.323 0.931 1
1 843 . 17 1 1 A 64 64 LEU HA H 63 3.932 4.112 -0.180 1
1 853 . 17 1 1 A 64 64 LEU C C 63 178.029 179.097 -1.068 1
1 854 . 17 1 1 A 64 64 LEU CA C 63 57.986 57.810 0.176 1
1 855 . 17 1 1 A 64 64 LEU CB C 63 41.377 41.402 -0.025 1
1 859 . 17 1 1 A 64 64 LEU N N 63 120.526 121.434 -0.908 1
1 860 . 17 1 1 A 65 65 ILE H H 64 8.415 8.322 0.093 1
1 861 . 17 1 1 A 65 65 ILE HA H 64 3.377 3.968 -0.591 1
1 871 . 17 1 1 A 65 65 ILE C C 64 177.078 178.311 -1.233 1
1 872 . 17 1 1 A 65 65 ILE CA C 64 66.699 64.945 1.754 1
1 873 . 17 1 1 A 65 65 ILE CB C 64 38.128 37.752 0.376 1
1 877 . 17 1 1 A 65 65 ILE N N 64 118.349 119.607 -1.258 1
1 878 . 17 1 1 A 66 66 LYS H H 65 7.366 8.014 -0.648 1
1 879 . 17 1 1 A 66 66 LYS HA H 65 3.696 4.056 -0.360 1
1 888 . 17 1 1 A 66 66 LYS C C 65 179.260 178.468 0.792 1
1 889 . 17 1 1 A 66 66 LYS CA C 65 60.593 58.714 1.879 1
1 890 . 17 1 1 A 66 66 LYS CB C 65 32.421 32.098 0.323 1
1 894 . 17 1 1 A 66 66 LYS N N 65 118.334 118.671 -0.337 1
1 895 . 17 1 1 A 67 67 ILE H H 66 8.179 7.070 1.109 1
1 896 . 17 1 1 A 67 67 ILE HA H 66 3.546 3.980 -0.434 1
1 906 . 17 1 1 A 67 67 ILE C C 66 178.784 177.900 0.884 1
1 907 . 17 1 1 A 67 67 ILE CA C 66 65.488 64.341 1.147 1
1 908 . 17 1 1 A 67 67 ILE CB C 66 38.593 37.900 0.693 1
1 912 . 17 1 1 A 67 67 ILE N N 66 119.791 118.832 0.959 1
1 913 . 17 1 1 A 68 68 ILE H H 67 8.279 8.578 -0.299 1
1 914 . 17 1 1 A 68 68 ILE HA H 67 3.391 3.489 -0.098 1
1 924 . 17 1 1 A 68 68 ILE C C 67 177.403 178.103 -0.700 1
1 925 . 17 1 1 A 68 68 ILE CA C 67 63.144 65.550 -2.406 1
1 926 . 17 1 1 A 68 68 ILE CB C 67 35.269 37.571 -2.302 1
1 930 . 17 1 1 A 68 68 ILE N N 67 120.267 120.337 -0.070 1
1 931 . 17 1 1 A 69 69 ARG H H 68 8.454 8.727 -0.273 1
1 932 . 17 1 1 A 69 69 ARG HA H 68 2.966 3.652 -0.686 1
1 939 . 17 1 1 A 69 69 ARG C C 68 178.385 178.152 0.233 1
1 940 . 17 1 1 A 69 69 ARG CA C 68 60.642 58.779 1.863 1
1 941 . 17 1 1 A 69 69 ARG CB C 68 30.442 30.214 0.228 1
1 944 . 17 1 1 A 69 69 ARG N N 68 118.881 120.625 -1.744 1
1 945 . 17 1 1 A 70 70 ARG H H 69 7.492 8.122 -0.630 1
1 946 . 17 1 1 A 70 70 ARG HA H 69 4.164 4.049 0.115 1
1 954 . 17 1 1 A 70 70 ARG C C 69 180.253 179.007 1.246 1
1 955 . 17 1 1 A 70 70 ARG CA C 69 58.510 59.213 -0.703 1
1 956 . 17 1 1 A 70 70 ARG CB C 69 29.587 29.907 -0.320 1
1 960 . 17 1 1 A 70 70 ARG N N 69 116.411 119.104 -2.693 1
1 962 . 17 1 1 A 71 71 ARG H H 70 8.086 7.783 0.303 1
1 963 . 17 1 1 A 71 71 ARG HA H 70 4.025 4.055 -0.030 1
1 970 . 17 1 1 A 71 71 ARG C C 70 178.558 178.588 -0.030 1
1 971 . 17 1 1 A 71 71 ARG CA C 70 59.428 59.044 0.384 1
1 972 . 17 1 1 A 71 71 ARG CB C 70 30.235 30.857 -0.622 1
1 975 . 17 1 1 A 71 71 ARG N N 70 122.779 119.268 3.511 1
1 976 . 17 1 1 A 72 72 LEU H H 71 7.755 7.447 0.308 1
1 977 . 17 1 1 A 72 72 LEU HA H 71 4.081 4.112 -0.031 1
1 987 . 17 1 1 A 72 72 LEU C C 71 174.852 176.490 -1.638 1
1 988 . 17 1 1 A 72 72 LEU CA C 71 55.060 55.325 -0.265 1
1 989 . 17 1 1 A 72 72 LEU CB C 71 43.109 41.785 1.324 1
1 993 . 17 1 1 A 72 72 LEU N N 71 116.551 118.500 -1.949 1
1 994 . 17 1 1 A 73 73 GLN H H 72 7.740 7.616 0.124 1
1 995 . 17 1 1 A 73 73 GLN HA H 72 3.853 3.966 -0.113 1
1 1002 . 17 1 1 A 73 73 GLN C C 72 175.619 174.896 0.723 1
1 1003 . 17 1 1 A 73 73 GLN CA C 72 56.273 56.600 -0.327 1
1 1004 . 17 1 1 A 73 73 GLN CB C 72 25.939 26.313 -0.374 1
1 1007 . 17 1 1 A 73 73 GLN N N 72 114.737 117.876 -3.139 1
1 1009 . 17 1 1 A 74 74 LEU H H 73 7.525 7.924 -0.399 1
1 1010 . 17 1 1 A 74 74 LEU HA H 73 4.242 4.455 -0.213 1
1 1020 . 17 1 1 A 74 74 LEU C C 73 178.611 175.744 2.867 1
1 1021 . 17 1 1 A 74 74 LEU CA C 73 54.382 54.274 0.108 1
1 1022 . 17 1 1 A 74 74 LEU CB C 73 41.995 42.213 -0.218 1
1 1026 . 17 1 1 A 74 74 LEU N N 73 114.861 120.500 -5.639 1
1 1027 . 17 1 1 A 75 75 ASN H H 74 8.970 8.584 0.386 1
1 1028 . 17 1 1 A 75 75 ASN HA H 74 4.694 5.039 -0.345 1
1 1033 . 17 1 1 A 75 75 ASN C C 74 176.527 175.982 0.545 1
1 1034 . 17 1 1 A 75 75 ASN CA C 74 52.686 51.615 1.071 1
1 1035 . 17 1 1 A 75 75 ASN CB C 74 39.583 41.245 -1.662 1
1 1037 . 17 1 1 A 75 75 ASN N N 74 121.274 117.245 4.029 1
1 1039 . 17 1 1 A 76 76 ALA H H 75 8.697 8.729 -0.032 1
1 1040 . 17 1 1 A 76 76 ALA HA H 75 3.966 4.000 -0.034 1
1 1044 . 17 1 1 A 76 76 ALA C C 75 178.002 179.907 -1.905 1
1 1045 . 17 1 1 A 76 76 ALA CA C 75 54.797 55.100 -0.303 1
1 1046 . 17 1 1 A 76 76 ALA CB C 75 18.669 18.082 0.587 1
1 1047 . 17 1 1 A 76 76 ALA N N 75 123.590 121.528 2.062 1
1 1048 . 17 1 1 A 77 77 ASN H H 76 8.344 7.910 0.434 1
1 1049 . 17 1 1 A 77 77 ASN HA H 76 4.585 4.596 -0.011 1
1 1054 . 17 1 1 A 77 77 ASN C C 76 175.371 176.316 -0.945 1
1 1055 . 17 1 1 A 77 77 ASN CA C 76 53.183 55.989 -2.806 1
1 1056 . 17 1 1 A 77 77 ASN CB C 76 38.277 38.361 -0.084 1
1 1058 . 17 1 1 A 77 77 ASN N N 76 112.004 114.910 -2.906 1
1 1060 . 17 1 1 A 78 78 GLN H H 77 7.532 7.588 -0.056 1
1 1061 . 17 1 1 A 78 78 GLN HA H 77 4.281 4.130 0.151 1
1 1068 . 17 1 1 A 78 78 GLN C C 77 175.001 175.110 -0.109 1
1 1069 . 17 1 1 A 78 78 GLN CA C 77 55.875 56.208 -0.333 1
1 1070 . 17 1 1 A 78 78 GLN CB C 77 30.227 29.427 0.800 1
1 1073 . 17 1 1 A 78 78 GLN N N 77 120.237 118.880 1.357 1
1 1075 . 17 1 1 A 79 79 ALA H H 78 8.732 8.282 0.450 1
1 1076 . 17 1 1 A 79 79 ALA HA H 78 4.183 5.140 -0.957 1
1 1080 . 17 1 1 A 79 79 ALA C C 78 176.367 175.496 0.871 1
1 1081 . 17 1 1 A 79 79 ALA CA C 78 52.798 50.347 2.451 1
1 1082 . 17 1 1 A 79 79 ALA CB C 78 20.051 21.804 -1.753 1
1 1083 . 17 1 1 A 79 79 ALA N N 78 130.399 127.264 3.135 1
1 1084 . 17 1 1 A 80 80 PHE H H 79 7.603 8.650 -1.047 1
1 1085 . 17 1 1 A 80 80 PHE HA H 79 4.449 5.112 -0.663 1
1 1093 . 17 1 1 A 80 80 PHE C C 79 171.709 173.321 -1.612 1
1 1094 . 17 1 1 A 80 80 PHE CA C 79 59.101 56.135 2.966 1
1 1095 . 17 1 1 A 80 80 PHE CB C 79 42.282 42.224 0.058 1
1 1099 . 17 1 1 A 80 80 PHE N N 79 118.988 123.660 -4.672 1
1 1100 . 17 1 1 A 81 81 PHE H H 80 8.507 9.587 -1.080 1
1 1101 . 17 1 1 A 81 81 PHE HA H 80 4.421 4.665 -0.244 1
1 1109 . 17 1 1 A 81 81 PHE C C 80 172.644 174.381 -1.737 1
1 1110 . 17 1 1 A 81 81 PHE CA C 80 56.711 56.157 0.554 1
1 1111 . 17 1 1 A 81 81 PHE CB C 80 41.880 40.714 1.166 1
1 1115 . 17 1 1 A 81 81 PHE N N 80 126.042 126.405 -0.363 1
1 1116 . 17 1 1 A 82 82 LEU H H 81 8.199 8.545 -0.346 1
1 1117 . 17 1 1 A 82 82 LEU HA H 81 4.883 4.901 -0.018 1
1 1127 . 17 1 1 A 82 82 LEU C C 81 174.440 174.722 -0.282 1
1 1128 . 17 1 1 A 82 82 LEU CA C 81 53.153 54.142 -0.989 1
1 1129 . 17 1 1 A 82 82 LEU CB C 81 45.520 43.324 2.196 1
1 1133 . 17 1 1 A 82 82 LEU N N 81 121.512 126.424 -4.912 1
1 1134 . 17 1 1 A 83 83 LEU H H 82 9.349 9.654 -0.305 1
1 1135 . 17 1 1 A 83 83 LEU HA H 82 4.810 4.706 0.104 1
1 1145 . 17 1 1 A 83 83 LEU C C 82 177.075 175.850 1.225 1
1 1146 . 17 1 1 A 83 83 LEU CA C 82 54.122 53.794 0.328 1
1 1147 . 17 1 1 A 83 83 LEU CB C 82 43.394 41.660 1.734 1
1 1151 . 17 1 1 A 83 83 LEU N N 82 125.253 129.277 -4.024 1
1 1152 . 17 1 1 A 84 84 VAL H H 83 8.681 9.090 -0.409 1
1 1153 . 17 1 1 A 84 84 VAL HA H 83 4.411 4.111 0.300 1
1 1161 . 17 1 1 A 84 84 VAL C C 83 175.797 176.090 -0.293 1
1 1162 . 17 1 1 A 84 84 VAL CA C 83 61.630 61.776 -0.146 1
1 1163 . 17 1 1 A 84 84 VAL CB C 83 33.647 31.093 2.554 1
1 1166 . 17 1 1 A 84 84 VAL N N 83 123.543 125.583 -2.040 1
1 1167 . 17 1 1 A 85 85 ASN H H 84 9.622 9.227 0.395 1
1 1168 . 17 1 1 A 85 85 ASN HA H 84 4.399 4.578 -0.179 1
1 1173 . 17 1 1 A 85 85 ASN C C 84 175.042 174.808 0.234 1
1 1174 . 17 1 1 A 85 85 ASN CA C 84 54.610 54.288 0.322 1
1 1175 . 17 1 1 A 85 85 ASN CB C 84 37.927 36.909 1.018 1
1 1177 . 17 1 1 A 85 85 ASN N N 84 125.848 127.144 -1.296 1
1 1179 . 17 1 1 A 86 86 GLY H H 85 8.551 8.263 0.288 1
1 1180 . 17 1 1 A 86 86 GLY HA2 H 85 3.368 3.974 -0.606 1
1 1181 . 17 1 1 A 86 86 GLY HA3 H 85 4.064 3.985 0.079 1
1 1182 . 17 1 1 A 86 86 GLY C C 85 173.524 173.630 -0.106 1
1 1183 . 17 1 1 A 86 86 GLY CA C 85 45.588 45.021 0.567 1
1 1184 . 17 1 1 A 86 86 GLY N N 85 101.093 104.142 -3.049 1
1 1185 . 17 1 1 A 87 87 HIS H H 86 7.906 7.337 0.569 1
1 1186 . 17 1 1 A 87 87 HIS HA H 86 5.003 5.174 -0.171 1
1 1191 . 17 1 1 A 87 87 HIS C C 86 173.910 174.297 -0.387 1
1 1192 . 17 1 1 A 87 87 HIS CA C 86 54.213 53.580 0.633 1
1 1193 . 17 1 1 A 87 87 HIS CB C 86 31.482 32.724 -1.242 1
1 1196 . 17 1 1 A 87 87 HIS N N 86 117.253 116.048 1.205 1
1 1197 . 17 1 1 A 88 88 SER H H 87 8.846 8.977 -0.131 1
1 1198 . 17 1 1 A 88 88 SER HA H 87 4.702 4.467 0.235 1
1 1201 . 17 1 1 A 88 88 SER C C 87 175.739 175.197 0.542 1
1 1202 . 17 1 1 A 88 88 SER CA C 87 58.245 58.097 0.148 1
1 1203 . 17 1 1 A 88 88 SER CB C 87 63.764 64.933 -1.169 1
1 1204 . 17 1 1 A 88 88 SER N N 87 117.469 115.247 2.222 1
1 1205 . 17 1 1 A 89 89 MET H H 88 9.174 8.364 0.810 1
1 1206 . 17 1 1 A 89 89 MET HA H 88 4.820 4.884 -0.064 1
1 1214 . 17 1 1 A 89 89 MET C C 88 176.294 177.144 -0.850 1
1 1215 . 17 1 1 A 89 89 MET CA C 88 54.853 54.049 0.804 1
1 1216 . 17 1 1 A 89 89 MET CB C 88 33.183 31.948 1.235 1
1 1219 . 17 1 1 A 89 89 MET N N 88 125.111 118.501 6.610 1
1 1220 . 17 1 1 A 90 90 VAL H H 89 8.217 7.666 0.551 1
1 1221 . 17 1 1 A 90 90 VAL HA H 89 4.063 3.896 0.167 1
1 1229 . 17 1 1 A 90 90 VAL C C 89 176.249 176.224 0.025 1
1 1230 . 17 1 1 A 90 90 VAL CA C 89 63.377 64.106 -0.729 1
1 1231 . 17 1 1 A 90 90 VAL CB C 89 32.473 31.598 0.875 1
1 1234 . 17 1 1 A 90 90 VAL N N 89 120.477 120.357 0.120 1
1 1235 . 17 1 1 A 91 91 SER H H 90 8.356 7.737 0.619 1
1 1236 . 17 1 1 A 91 91 SER HA H 90 4.614 4.558 0.056 1
1 1239 . 17 1 1 A 91 91 SER C C 90 175.841 174.065 1.776 1
1 1240 . 17 1 1 A 91 91 SER CA C 90 57.860 57.216 0.644 1
1 1241 . 17 1 1 A 91 91 SER CB C 90 63.398 63.330 0.068 1
1 1242 . 17 1 1 A 91 91 SER N N 90 116.676 111.631 5.045 1
1 1243 . 17 1 1 A 92 92 VAL H H 91 8.158 7.526 0.632 1
1 1244 . 17 1 1 A 92 92 VAL HA H 91 4.245 3.979 0.266 1
1 1252 . 17 1 1 A 92 92 VAL C C 91 175.856 175.723 0.133 1
1 1253 . 17 1 1 A 92 92 VAL CA C 91 63.121 63.438 -0.317 1
1 1254 . 17 1 1 A 92 92 VAL CB C 91 31.872 31.545 0.327 1
1 1257 . 17 1 1 A 92 92 VAL N N 91 119.994 122.964 -2.970 1
1 1258 . 17 1 1 A 93 93 SER H H 92 8.368 8.802 -0.434 1
1 1259 . 17 1 1 A 93 93 SER HA H 92 4.581 4.743 -0.162 1
1 1262 . 17 1 1 A 93 93 SER C C 92 174.154 172.664 1.490 1
1 1263 . 17 1 1 A 93 93 SER CA C 92 57.706 57.936 -0.230 1
1 1264 . 17 1 1 A 93 93 SER CB C 92 63.126 64.299 -1.173 1
1 1265 . 17 1 1 A 93 93 SER N N 92 116.504 125.321 -8.817 1
1 1266 . 17 1 1 A 94 94 THR H H 93 7.427 7.618 -0.191 1
1 1267 . 17 1 1 A 94 94 THR HA H 93 4.464 4.725 -0.261 1
1 1272 . 17 1 1 A 94 94 THR CA C 93 61.032 59.238 1.794 1
1 1273 . 17 1 1 A 94 94 THR CB C 93 70.505 71.922 -1.417 1
1 1275 . 17 1 1 A 94 94 THR N N 93 119.172 116.686 2.486 1
1 1276 . 17 1 1 A 95 95 PRO HA H 94 4.426 4.680 -0.254 1
1 1283 . 17 1 1 A 95 95 PRO C C 94 178.692 177.970 0.722 1
1 1284 . 17 1 1 A 95 95 PRO CA C 94 62.921 62.682 0.239 1
1 1285 . 17 1 1 A 95 95 PRO CB C 94 32.774 32.541 0.233 1
1 1288 . 17 1 1 A 96 96 ILE H H 95 9.324 9.006 0.318 1
1 1289 . 17 1 1 A 96 96 ILE HA H 95 3.956 3.985 -0.029 1
1 1299 . 17 1 1 A 96 96 ILE C C 95 176.415 177.366 -0.951 1
1 1300 . 17 1 1 A 96 96 ILE CA C 95 63.880 63.814 0.066 1
1 1301 . 17 1 1 A 96 96 ILE CB C 95 38.055 37.867 0.188 1
1 1305 . 17 1 1 A 96 96 ILE N N 95 123.862 125.564 -1.702 1
1 1306 . 17 1 1 A 97 97 SER H H 96 8.211 8.330 -0.119 1
1 1307 . 17 1 1 A 97 97 SER HA H 96 3.978 4.156 -0.178 1
1 1310 . 17 1 1 A 97 97 SER C C 96 176.494 177.360 -0.866 1
1 1311 . 17 1 1 A 97 97 SER CA C 96 61.576 61.305 0.271 1
1 1312 . 17 1 1 A 97 97 SER CB C 96 61.262 62.239 -0.977 1
1 1313 . 17 1 1 A 97 97 SER N N 96 116.529 117.179 -0.650 1
1 1314 . 17 1 1 A 98 98 GLU H H 97 7.329 7.997 -0.668 1
1 1315 . 17 1 1 A 98 98 GLU HA H 97 4.290 4.293 -0.003 1
1 1320 . 17 1 1 A 98 98 GLU C C 97 179.288 179.002 0.286 1
1 1321 . 17 1 1 A 98 98 GLU CA C 97 58.705 59.312 -0.607 1
1 1322 . 17 1 1 A 98 98 GLU CB C 97 29.791 30.255 -0.464 1
1 1324 . 17 1 1 A 98 98 GLU N N 97 122.955 122.449 0.506 1
1 1325 . 17 1 1 A 99 99 VAL H H 98 7.386 8.516 -1.130 1
1 1326 . 17 1 1 A 99 99 VAL HA H 98 3.815 3.814 0.001 1
1 1334 . 17 1 1 A 99 99 VAL C C 98 177.662 178.243 -0.581 1
1 1335 . 17 1 1 A 99 99 VAL CA C 98 65.774 65.807 -0.033 1
1 1336 . 17 1 1 A 99 99 VAL CB C 98 32.047 31.744 0.303 1
1 1339 . 17 1 1 A 99 99 VAL N N 98 120.888 120.493 0.395 1
1 1340 . 17 1 1 A 100 100 TYR H H 99 8.984 8.121 0.863 1
1 1341 . 17 1 1 A 100 100 TYR HA H 99 4.013 4.192 -0.179 1
1 1348 . 17 1 1 A 100 100 TYR C C 99 176.355 178.122 -1.767 1
1 1349 . 17 1 1 A 100 100 TYR CA C 99 62.118 61.333 0.785 1
1 1350 . 17 1 1 A 100 100 TYR CB C 99 38.921 39.070 -0.149 1
1 1353 . 17 1 1 A 100 100 TYR N N 99 118.874 121.368 -2.494 1
1 1354 . 17 1 1 A 101 101 GLU H H 100 7.433 8.407 -0.974 1
1 1355 . 17 1 1 A 101 101 GLU HA H 100 3.833 4.181 -0.348 1
1 1360 . 17 1 1 A 101 101 GLU C C 100 177.674 176.851 0.823 1
1 1361 . 17 1 1 A 101 101 GLU CA C 100 58.895 58.094 0.801 1
1 1362 . 17 1 1 A 101 101 GLU CB C 100 29.577 28.787 0.790 1
1 1364 . 17 1 1 A 101 101 GLU N N 100 114.383 117.845 -3.462 1
1 1365 . 17 1 1 A 102 102 SER H H 101 7.423 8.175 -0.752 1
1 1366 . 17 1 1 A 102 102 SER HA H 101 4.552 4.721 -0.169 1
1 1369 . 17 1 1 A 102 102 SER C C 101 176.554 174.756 1.798 1
1 1370 . 17 1 1 A 102 102 SER CA C 101 60.200 58.488 1.712 1
1 1371 . 17 1 1 A 102 102 SER CB C 101 64.828 64.129 0.699 1
1 1372 . 17 1 1 A 102 102 SER N N 101 108.722 115.210 -6.488 1
1 1373 . 17 1 1 A 103 103 GLU H H 102 8.488 7.845 0.643 1
1 1374 . 17 1 1 A 103 103 GLU HA H 102 4.752 4.524 0.228 1
1 1379 . 17 1 1 A 103 103 GLU C C 102 176.653 176.354 0.299 1
1 1380 . 17 1 1 A 103 103 GLU CA C 102 55.464 57.372 -1.908 1
1 1381 . 17 1 1 A 103 103 GLU CB C 102 30.611 32.200 -1.589 1
1 1383 . 17 1 1 A 103 103 GLU N N 102 116.116 118.730 -2.614 1
1 1384 . 17 1 1 A 104 104 ARG H H 103 7.511 7.733 -0.222 1
1 1385 . 17 1 1 A 104 104 ARG HA H 103 4.241 4.109 0.132 1
1 1392 . 17 1 1 A 104 104 ARG C C 103 174.634 175.550 -0.916 1
1 1393 . 17 1 1 A 104 104 ARG CA C 103 56.926 56.174 0.752 1
1 1394 . 17 1 1 A 104 104 ARG CB C 103 29.713 30.010 -0.297 1
1 1397 . 17 1 1 A 104 104 ARG N N 103 117.180 118.174 -0.994 1
1 1398 . 17 1 1 A 105 105 ASP H H 104 9.069 8.858 0.211 1
1 1399 . 17 1 1 A 105 105 ASP HA H 104 4.774 5.033 -0.259 1
1 1402 . 17 1 1 A 105 105 ASP C C 104 177.460 177.067 0.393 1
1 1403 . 17 1 1 A 105 105 ASP CA C 104 53.852 52.530 1.322 1
1 1404 . 17 1 1 A 105 105 ASP CB C 104 43.424 43.305 0.119 1
1 1405 . 17 1 1 A 105 105 ASP N N 104 123.349 121.846 1.503 1
1 1406 . 17 1 1 A 106 106 GLU H H 105 8.982 8.919 0.063 1
1 1407 . 17 1 1 A 106 106 GLU HA H 105 4.199 4.042 0.157 1
1 1412 . 17 1 1 A 106 106 GLU C C 105 177.398 178.182 -0.784 1
1 1413 . 17 1 1 A 106 106 GLU CA C 105 59.413 59.541 -0.128 1
1 1414 . 17 1 1 A 106 106 GLU CB C 105 29.983 29.326 0.657 1
1 1416 . 17 1 1 A 106 106 GLU N N 105 125.197 121.136 4.061 1
1 1417 . 17 1 1 A 107 107 ASP H H 106 9.873 8.177 1.696 1
1 1418 . 17 1 1 A 107 107 ASP HA H 106 4.211 3.999 0.212 1
1 1421 . 17 1 1 A 107 107 ASP C C 106 175.775 176.674 -0.899 1
1 1422 . 17 1 1 A 107 107 ASP CA C 106 54.698 55.071 -0.373 1
1 1423 . 17 1 1 A 107 107 ASP CB C 106 40.187 41.498 -1.311 1
1 1424 . 17 1 1 A 107 107 ASP N N 106 118.717 116.810 1.907 1
1 1425 . 17 1 1 A 108 108 GLY H H 107 7.971 8.003 -0.032 1
1 1426 . 17 1 1 A 108 108 GLY HA2 H 107 3.431 3.853 -0.422 1
1 1427 . 17 1 1 A 108 108 GLY HA3 H 107 4.526 3.894 0.632 1
1 1428 . 17 1 1 A 108 108 GLY C C 107 175.138 174.103 1.035 1
1 1429 . 17 1 1 A 108 108 GLY CA C 107 45.029 45.457 -0.428 1
1 1430 . 17 1 1 A 108 108 GLY N N 107 105.017 108.593 -3.576 1
1 1431 . 17 1 1 A 109 109 PHE H H 108 9.799 7.947 1.852 1
1 1432 . 17 1 1 A 109 109 PHE HA H 108 4.607 4.707 -0.100 1
1 1440 . 17 1 1 A 109 109 PHE C C 108 175.171 174.778 0.393 1
1 1441 . 17 1 1 A 109 109 PHE CA C 108 60.222 56.828 3.394 1
1 1442 . 17 1 1 A 109 109 PHE CB C 108 40.433 41.963 -1.530 1
1 1446 . 17 1 1 A 109 109 PHE N N 108 123.309 119.478 3.831 1
1 1447 . 17 1 1 A 110 110 LEU H H 109 8.061 8.478 -0.417 1
1 1448 . 17 1 1 A 110 110 LEU HA H 109 5.022 4.225 0.797 1
1 1458 . 17 1 1 A 110 110 LEU C C 109 174.033 175.656 -1.623 1
1 1459 . 17 1 1 A 110 110 LEU CA C 109 53.539 54.652 -1.113 1
1 1460 . 17 1 1 A 110 110 LEU CB C 109 45.284 42.212 3.072 1
1 1464 . 17 1 1 A 110 110 LEU N N 109 119.999 124.722 -4.723 1
1 1465 . 17 1 1 A 111 111 TYR H H 110 9.363 9.136 0.227 1
1 1466 . 17 1 1 A 111 111 TYR HA H 110 4.906 5.068 -0.162 1
1 1473 . 17 1 1 A 111 111 TYR C C 110 176.538 174.870 1.668 1
1 1474 . 17 1 1 A 111 111 TYR CA C 110 59.335 56.575 2.760 1
1 1475 . 17 1 1 A 111 111 TYR CB C 110 39.485 40.074 -0.589 1
1 1478 . 17 1 1 A 111 111 TYR N N 110 126.322 122.757 3.565 1
1 1479 . 17 1 1 A 112 112 MET H H 111 9.496 8.475 1.021 1
1 1480 . 17 1 1 A 112 112 MET HA H 111 5.522 5.335 0.187 1
1 1488 . 17 1 1 A 112 112 MET C C 111 175.676 174.241 1.435 1
1 1489 . 17 1 1 A 112 112 MET CA C 111 54.216 54.362 -0.146 1
1 1490 . 17 1 1 A 112 112 MET CB C 111 36.821 36.984 -0.163 1
1 1493 . 17 1 1 A 112 112 MET N N 111 119.003 123.576 -4.573 1
1 1494 . 17 1 1 A 113 113 VAL H H 112 8.749 8.848 -0.099 1
1 1495 . 17 1 1 A 113 113 VAL HA H 112 5.967 4.822 1.145 1
1 1503 . 17 1 1 A 113 113 VAL C C 112 174.893 175.362 -0.469 1
1 1504 . 17 1 1 A 113 113 VAL CA C 112 58.896 61.151 -2.255 1
1 1505 . 17 1 1 A 113 113 VAL CB C 112 36.149 33.362 2.787 1
1 1508 . 17 1 1 A 113 113 VAL N N 112 119.658 122.803 -3.145 1
1 1509 . 17 1 1 A 114 114 TYR H H 113 8.210 8.490 -0.280 1
1 1510 . 17 1 1 A 114 114 TYR HA H 113 6.141 6.141 0.000 1
1 1517 . 17 1 1 A 114 114 TYR C C 113 173.353 174.171 -0.818 1
1 1518 . 17 1 1 A 114 114 TYR CA C 113 54.161 55.001 -0.840 1
1 1519 . 17 1 1 A 114 114 TYR CB C 113 43.538 42.526 1.012 1
1 1522 . 17 1 1 A 114 114 TYR N N 113 118.947 124.255 -5.308 1
1 1523 . 17 1 1 A 115 115 ALA H H 114 8.483 8.810 -0.327 1
1 1524 . 17 1 1 A 115 115 ALA HA H 114 4.762 4.981 -0.219 1
1 1528 . 17 1 1 A 115 115 ALA C C 114 176.033 177.222 -1.189 1
1 1529 . 17 1 1 A 115 115 ALA CA C 114 51.223 51.455 -0.232 1
1 1530 . 17 1 1 A 115 115 ALA CB C 114 24.521 22.681 1.840 1
1 1531 . 17 1 1 A 115 115 ALA N N 114 119.557 121.712 -2.155 1
1 1532 . 17 1 1 A 116 116 SER H H 115 9.835 8.430 1.405 1
1 1533 . 17 1 1 A 116 116 SER HA H 115 4.497 4.658 -0.161 1
1 1536 . 17 1 1 A 116 116 SER C C 115 172.664 173.850 -1.186 1
1 1537 . 17 1 1 A 116 116 SER CA C 115 58.669 57.956 0.713 1
1 1538 . 17 1 1 A 116 116 SER CB C 115 63.570 63.584 -0.014 1
1 1539 . 17 1 1 A 116 116 SER N N 115 114.435 114.610 -0.175 1
1 1540 . 17 1 1 A 117 117 GLN H H 116 7.180 7.653 -0.473 1
1 1541 . 17 1 1 A 117 117 GLN HA H 116 4.460 4.868 -0.408 1
1 1548 . 17 1 1 A 117 117 GLN C C 116 172.901 175.612 -2.711 1
1 1549 . 17 1 1 A 117 117 GLN CA C 116 53.974 55.002 -1.028 1
1 1550 . 17 1 1 A 117 117 GLN CB C 116 32.192 31.546 0.646 1
1 1553 . 17 1 1 A 117 117 GLN N N 116 116.449 120.521 -4.072 1
1 1555 . 17 1 1 A 118 118 GLU H H 117 7.878 8.629 -0.751 1
1 1556 . 17 1 1 A 118 118 GLU HA H 117 3.259 4.480 -1.221 1
1 1561 . 17 1 1 A 118 118 GLU C C 117 175.233 176.806 -1.573 1
1 1562 . 17 1 1 A 118 118 GLU CA C 117 56.890 56.593 0.297 1
1 1563 . 17 1 1 A 118 118 GLU CB C 117 30.325 30.155 0.170 1
1 1565 . 17 1 1 A 118 118 GLU N N 117 117.687 126.218 -8.531 1
1 1566 . 17 1 1 A 119 119 THR H H 118 6.968 7.624 -0.656 1
1 1567 . 17 1 1 A 119 119 THR HA H 118 4.082 4.478 -0.396 1
1 1572 . 17 1 1 A 119 119 THR C C 118 173.134 174.955 -1.821 1
1 1573 . 17 1 1 A 119 119 THR CA C 118 60.123 59.750 0.373 1
1 1574 . 17 1 1 A 119 119 THR CB C 118 70.147 68.471 1.676 1
1 1576 . 17 1 1 A 119 119 THR N N 118 109.548 108.022 1.526 1
1 1577 . 17 1 1 A 120 120 PHE H H 119 8.138 7.460 0.678 1
1 1578 . 17 1 1 A 120 120 PHE HA H 119 4.436 4.528 -0.092 1
1 1586 . 17 1 1 A 120 120 PHE C C 119 174.902 177.033 -2.131 1
1 1587 . 17 1 1 A 120 120 PHE CA C 119 56.750 57.594 -0.844 1
1 1588 . 17 1 1 A 120 120 PHE CB C 119 39.411 39.775 -0.364 1
1 1592 . 17 1 1 A 120 120 PHE N N 119 121.777 120.901 0.876 1
1 1607 . 17 2 2 B 2 2 SER H H 332 8.471 8.835 -0.364 1
1 1608 . 17 2 2 B 2 2 SER HA H 332 4.484 4.807 -0.323 1
1 1611 . 17 2 2 B 2 2 SER C C 332 174.962 174.574 0.388 1
1 1612 . 17 2 2 B 2 2 SER CA C 332 88.436 59.147 29.289 1
1 1613 . 17 2 2 B 2 2 SER CB C 332 93.927 65.073 28.854 1
1 1614 . 17 2 2 B 2 2 SER N N 332 147.261 114.710 32.551 1
1 1615 . 17 2 2 B 3 3 GLY H H 333 8.601 7.635 0.966 1
1 1616 . 17 2 2 B 3 3 GLY HA2 H 333 4.022 3.996 0.026 1
1 1617 . 17 2 2 B 3 3 GLY HA3 H 333 4.022 4.000 0.022 1
1 1618 . 17 2 2 B 3 3 GLY C C 333 174.774 175.511 -0.737 1
1 1619 . 17 2 2 B 3 3 GLY CA C 333 75.465 45.422 30.043 1
1 1620 . 17 2 2 B 3 3 GLY N N 333 141.077 107.093 33.984 1
1 1621 . 17 2 2 B 4 4 GLY H H 334 8.372 8.239 0.133 1
1 1622 . 17 2 2 B 4 4 GLY HA2 H 334 3.980 3.887 0.093 1
1 1623 . 17 2 2 B 4 4 GLY HA3 H 334 3.980 3.887 0.093 1
1 1624 . 17 2 2 B 4 4 GLY C C 334 174.758 173.959 0.799 1
1 1625 . 17 2 2 B 4 4 GLY CA C 334 75.674 47.216 28.458 1
1 1626 . 17 2 2 B 4 4 GLY N N 334 138.894 108.598 30.296 1
1 1627 . 17 2 2 B 5 5 ASP H H 335 8.429 8.476 -0.047 1
1 1628 . 17 2 2 B 5 5 ASP HA H 335 4.610 4.689 -0.079 1
1 1631 . 17 2 2 B 5 5 ASP CA C 335 85.066 53.633 31.433 1
1 1632 . 17 2 2 B 5 5 ASP CB C 335 71.191 39.725 31.466 1
1 1633 . 17 2 2 B 5 5 ASP N N 335 149.637 124.717 24.920 1
1 1634 . 17 2 2 B 6 6 ASP H H 336 8.244 8.822 -0.578 1
1 1635 . 17 2 2 B 6 6 ASP HA H 336 4.559 4.445 0.114 1
1 1638 . 17 2 2 B 6 6 ASP C C 336 175.432 175.614 -0.182 1
1 1639 . 17 2 2 B 6 6 ASP CA C 336 84.708 56.687 28.021 1
1 1640 . 17 2 2 B 6 6 ASP CB C 336 71.552 41.477 30.075 1
1 1641 . 17 2 2 B 6 6 ASP N N 336 148.885 121.170 27.715 1
1 1642 . 17 2 2 B 7 7 ASP H H 337 7.803 7.922 -0.119 1
1 1643 . 17 2 2 B 7 7 ASP HA H 337 4.655 4.915 -0.260 1
1 1646 . 17 2 2 B 7 7 ASP C C 337 175.362 174.618 0.744 1
1 1647 . 17 2 2 B 7 7 ASP CA C 337 83.670 53.942 29.728 1
1 1648 . 17 2 2 B 7 7 ASP CB C 337 71.933 44.460 27.473 1
1 1649 . 17 2 2 B 7 7 ASP N N 337 149.563 117.040 32.523 1
1 1650 . 17 2 2 B 8 8 TRP H H 338 8.472 8.459 0.013 1
1 1651 . 17 2 2 B 8 8 TRP HA H 338 4.174 4.905 -0.731 1
1 1660 . 17 2 2 B 8 8 TRP C C 338 175.959 176.094 -0.135 1
1 1661 . 17 2 2 B 8 8 TRP CA C 338 87.020 57.047 29.973 1
1 1662 . 17 2 2 B 8 8 TRP CB C 338 61.223 30.241 30.982 1
1 1668 . 17 2 2 B 8 8 TRP N N 338 150.172 122.543 27.629 1
1 1670 . 17 2 2 B 9 9 THR H H 339 7.994 8.554 -0.560 1
1 1671 . 17 2 2 B 9 9 THR HA H 339 4.533 4.635 -0.102 1
1 1676 . 17 2 2 B 9 9 THR C C 339 174.035 173.846 0.189 1
1 1677 . 17 2 2 B 9 9 THR CA C 339 92.659 60.749 31.910 1
1 1678 . 17 2 2 B 9 9 THR CB C 339 99.436 70.784 28.652 1
1 1680 . 17 2 2 B 9 9 THR N N 339 149.503 115.331 34.172 1
1 1681 . 17 2 2 B 10 10 HIS H H 340 9.463 8.122 1.341 1
1 1682 . 17 2 2 B 10 10 HIS HA H 340 4.677 5.634 -0.957 1
1 1687 . 17 2 2 B 10 10 HIS C C 340 175.606 174.417 1.189 1
1 1688 . 17 2 2 B 10 10 HIS CA C 340 87.024 53.789 33.235 1
1 1689 . 17 2 2 B 10 10 HIS CB C 340 61.368 31.950 29.418 1
1 1692 . 17 2 2 B 10 10 HIS N N 340 159.135 119.020 40.115 1
1 1693 . 17 2 2 B 11 11 LEU H H 341 8.398 9.061 -0.663 1
1 1694 . 17 2 2 B 11 11 LEU HA H 341 4.848 4.995 -0.147 1
1 1704 . 17 2 2 B 11 11 LEU C C 341 175.919 176.092 -0.173 1
1 1705 . 17 2 2 B 11 11 LEU CA C 341 83.684 53.735 29.949 1
1 1706 . 17 2 2 B 11 11 LEU CB C 341 73.601 42.995 30.606 1
1 1710 . 17 2 2 B 11 11 LEU N N 341 153.300 125.257 28.043 1
1 1711 . 17 2 2 B 12 12 SER H H 342 8.382 9.274 -0.892 1
1 1712 . 17 2 2 B 12 12 SER HA H 342 4.652 5.184 -0.532 1
1 1715 . 17 2 2 B 12 12 SER C C 342 174.263 174.018 0.245 1
1 1716 . 17 2 2 B 12 12 SER CA C 342 86.841 57.340 29.501 1
1 1717 . 17 2 2 B 12 12 SER CB C 342 95.113 65.312 29.801 1
1 1718 . 17 2 2 B 12 12 SER N N 342 144.018 123.627 20.391 1
1 1719 . 17 2 2 B 13 13 SER H H 343 8.937 8.813 0.124 1
1 1720 . 17 2 2 B 13 13 SER HA H 343 4.291 4.758 -0.467 1
1 1723 . 17 2 2 B 13 13 SER C C 343 174.652 175.034 -0.382 1
1 1724 . 17 2 2 B 13 13 SER CA C 343 89.546 57.823 31.723 1
1 1725 . 17 2 2 B 13 13 SER CB C 343 93.470 63.644 29.826 1
1 1726 . 17 2 2 B 13 13 SER N N 343 148.575 121.226 27.349 1
1 1727 . 17 2 2 B 14 14 LYS H H 344 8.250 8.014 0.236 1
1 1728 . 17 2 2 B 14 14 LYS HA H 344 4.319 4.529 -0.210 1
1 1737 . 17 2 2 B 14 14 LYS C C 344 176.699 177.995 -1.296 1
1 1738 . 17 2 2 B 14 14 LYS CA C 344 86.716 57.361 29.355 1
1 1739 . 17 2 2 B 14 14 LYS CB C 344 62.831 34.103 28.728 1
1 1743 . 17 2 2 B 14 14 LYS N N 344 151.908 118.390 33.518 1
1 1744 . 17 2 2 B 15 15 GLU H H 345 8.256 7.884 0.372 1
1 1745 . 17 2 2 B 15 15 GLU HA H 345 4.240 4.310 -0.070 1
1 1750 . 17 2 2 B 15 15 GLU C C 345 176.152 176.349 -0.197 1
1 1751 . 17 2 2 B 15 15 GLU CA C 345 87.152 57.434 29.718 1
1 1752 . 17 2 2 B 15 15 GLU CB C 345 60.176 30.132 30.044 1
1 1754 . 17 2 2 B 15 15 GLU N N 345 150.679 118.329 32.350 1
1 1755 . 17 2 2 B 16 16 VAL H H 346 7.762 7.403 0.359 1
1 1756 . 17 2 2 B 16 16 VAL HA H 346 4.161 4.101 0.060 1
1 1764 . 17 2 2 B 16 16 VAL C C 346 174.646 175.594 -0.948 1
1 1765 . 17 2 2 B 16 16 VAL CA C 346 91.707 61.426 30.281 1
1 1766 . 17 2 2 B 16 16 VAL CB C 346 63.107 33.274 29.833 1
1 1769 . 17 2 2 B 16 16 VAL N N 346 146.718 117.695 29.023 1
1 9 . 18 1 1 A 2 2 MET H H 1 8.414 8.327 0.087 1
1 10 . 18 1 1 A 2 2 MET HA H 1 4.826 4.690 0.136 1
1 18 . 18 1 1 A 2 2 MET CA C 1 53.382 54.060 -0.678 1
1 19 . 18 1 1 A 2 2 MET CB C 1 32.478 32.901 -0.423 1
1 22 . 18 1 1 A 2 2 MET N N 1 122.882 123.146 -0.264 1
1 23 . 18 1 1 A 3 3 PRO HA H 2 4.425 4.376 0.049 1
1 30 . 18 1 1 A 3 3 PRO C C 2 176.847 176.480 0.367 1
1 31 . 18 1 1 A 3 3 PRO CA C 2 63.386 65.456 -2.070 1
1 32 . 18 1 1 A 3 3 PRO CB C 2 32.077 31.421 0.656 1
1 35 . 18 1 1 A 4 4 SER H H 3 8.347 8.132 0.215 1
1 36 . 18 1 1 A 4 4 SER HA H 3 4.391 4.737 -0.346 1
1 39 . 18 1 1 A 4 4 SER C C 3 174.643 174.203 0.440 1
1 40 . 18 1 1 A 4 4 SER CA C 3 58.336 58.730 -0.394 1
1 41 . 18 1 1 A 4 4 SER CB C 3 63.798 64.589 -0.791 1
1 42 . 18 1 1 A 4 4 SER N N 3 115.234 113.044 2.190 1
1 43 . 18 1 1 A 5 5 GLU H H 4 8.472 8.395 0.077 1
1 44 . 18 1 1 A 5 5 GLU HA H 4 4.297 4.366 -0.069 1
1 49 . 18 1 1 A 5 5 GLU C C 4 176.352 176.214 0.138 1
1 50 . 18 1 1 A 5 5 GLU CA C 4 56.572 55.420 1.152 1
1 51 . 18 1 1 A 5 5 GLU CB C 4 30.285 30.510 -0.225 1
1 53 . 18 1 1 A 5 5 GLU N N 4 123.045 123.173 -0.128 1
1 54 . 18 1 1 A 6 6 LYS H H 5 8.214 8.407 -0.193 1
1 55 . 18 1 1 A 6 6 LYS HA H 5 4.500 4.322 0.178 1
1 64 . 18 1 1 A 6 6 LYS C C 5 177.243 176.737 0.506 1
1 65 . 18 1 1 A 6 6 LYS CA C 5 55.943 56.883 -0.940 1
1 66 . 18 1 1 A 6 6 LYS CB C 5 34.621 32.996 1.625 1
1 70 . 18 1 1 A 6 6 LYS N N 5 121.467 120.909 0.558 1
1 71 . 18 1 1 A 7 7 THR H H 6 8.431 8.428 0.003 1
1 72 . 18 1 1 A 7 7 THR HA H 6 4.383 4.657 -0.274 1
1 77 . 18 1 1 A 7 7 THR C C 6 175.360 176.189 -0.829 1
1 78 . 18 1 1 A 7 7 THR CA C 6 61.124 59.961 1.163 1
1 79 . 18 1 1 A 7 7 THR CB C 6 69.863 71.410 -1.547 1
1 81 . 18 1 1 A 7 7 THR N N 6 114.691 112.782 1.909 1
1 82 . 18 1 1 A 8 8 PHE H H 7 10.194 8.663 1.531 1
1 83 . 18 1 1 A 8 8 PHE HA H 7 3.904 4.267 -0.363 1
1 88 . 18 1 1 A 8 8 PHE C C 7 177.000 177.831 -0.831 1
1 89 . 18 1 1 A 8 8 PHE CA C 7 63.388 60.944 2.444 1
1 90 . 18 1 1 A 8 8 PHE CB C 7 39.586 38.943 0.643 1
1 92 . 18 1 1 A 8 8 PHE N N 7 124.861 123.253 1.608 1
1 93 . 18 1 1 A 9 9 LYS H H 8 8.707 8.206 0.501 1
1 94 . 18 1 1 A 9 9 LYS HA H 8 3.761 4.353 -0.592 1
1 103 . 18 1 1 A 9 9 LYS C C 8 177.496 179.117 -1.621 1
1 104 . 18 1 1 A 9 9 LYS CA C 8 59.945 59.301 0.644 1
1 105 . 18 1 1 A 9 9 LYS CB C 8 33.870 32.321 1.549 1
1 109 . 18 1 1 A 9 9 LYS N N 8 114.189 117.613 -3.424 1
1 110 . 18 1 1 A 10 10 GLN H H 9 7.284 7.655 -0.371 1
1 111 . 18 1 1 A 10 10 GLN HA H 9 4.113 4.100 0.013 1
1 118 . 18 1 1 A 10 10 GLN C C 9 177.416 178.039 -0.623 1
1 119 . 18 1 1 A 10 10 GLN CA C 9 56.743 58.620 -1.877 1
1 120 . 18 1 1 A 10 10 GLN CB C 9 30.002 28.502 1.500 1
1 123 . 18 1 1 A 10 10 GLN N N 9 112.843 119.687 -6.844 1
1 125 . 18 1 1 A 11 11 ARG H H 10 7.889 8.479 -0.590 1
1 126 . 18 1 1 A 11 11 ARG HA H 10 4.255 3.996 0.259 1
1 133 . 18 1 1 A 11 11 ARG C C 10 175.059 176.688 -1.629 1
1 134 . 18 1 1 A 11 11 ARG CA C 10 57.018 59.653 -2.635 1
1 135 . 18 1 1 A 11 11 ARG CB C 10 31.628 30.352 1.276 1
1 138 . 18 1 1 A 11 11 ARG N N 10 117.567 120.861 -3.294 1
1 139 . 18 1 1 A 12 12 ARG H H 11 7.443 7.920 -0.477 1
1 140 . 18 1 1 A 12 12 ARG HA H 11 4.493 4.445 0.048 1
1 147 . 18 1 1 A 12 12 ARG CA C 11 54.172 56.189 -2.017 1
1 148 . 18 1 1 A 12 12 ARG CB C 11 32.857 31.056 1.801 1
1 151 . 18 1 1 A 12 12 ARG N N 11 122.786 120.643 2.143 1
1 152 . 18 1 1 A 13 13 SER HA H 12 4.403 4.384 0.019 1
1 155 . 18 1 1 A 13 13 SER C C 12 174.222 175.555 -1.333 1
1 156 . 18 1 1 A 13 13 SER CA C 12 58.274 60.644 -2.370 1
1 157 . 18 1 1 A 13 13 SER CB C 12 64.821 63.348 1.473 1
1 158 . 18 1 1 A 14 14 PHE H H 13 9.239 9.166 0.073 1
1 159 . 18 1 1 A 14 14 PHE HA H 13 4.035 4.188 -0.153 1
1 165 . 18 1 1 A 14 14 PHE C C 13 176.023 176.944 -0.921 1
1 166 . 18 1 1 A 14 14 PHE CA C 13 62.790 62.355 0.435 1
1 167 . 18 1 1 A 14 14 PHE CB C 13 39.580 39.945 -0.365 1
1 169 . 18 1 1 A 14 14 PHE N N 13 123.729 127.614 -3.885 1
1 170 . 18 1 1 A 15 15 GLU H H 14 9.093 8.410 0.683 1
1 171 . 18 1 1 A 15 15 GLU HA H 14 3.813 3.925 -0.112 1
1 176 . 18 1 1 A 15 15 GLU C C 14 179.549 179.426 0.123 1
1 177 . 18 1 1 A 15 15 GLU CA C 14 60.444 59.658 0.786 1
1 178 . 18 1 1 A 15 15 GLU CB C 14 28.804 29.315 -0.511 1
1 180 . 18 1 1 A 15 15 GLU N N 14 115.336 117.742 -2.406 1
1 181 . 18 1 1 A 16 16 GLN H H 15 7.752 8.389 -0.637 1
1 182 . 18 1 1 A 16 16 GLN HA H 15 4.044 4.066 -0.022 1
1 189 . 18 1 1 A 16 16 GLN C C 15 177.931 177.643 0.288 1
1 190 . 18 1 1 A 16 16 GLN CA C 15 58.486 58.560 -0.074 1
1 191 . 18 1 1 A 16 16 GLN CB C 15 29.393 27.925 1.468 1
1 194 . 18 1 1 A 16 16 GLN N N 15 119.145 118.368 0.777 1
1 196 . 18 1 1 A 17 17 ARG H H 16 8.577 8.236 0.341 1
1 197 . 18 1 1 A 17 17 ARG HA H 16 4.280 4.167 0.113 1
1 202 . 18 1 1 A 17 17 ARG C C 16 177.128 178.287 -1.159 1
1 203 . 18 1 1 A 17 17 ARG CA C 16 61.442 58.779 2.663 1
1 204 . 18 1 1 A 17 17 ARG N N 16 121.288 120.079 1.209 1
1 205 . 18 1 1 A 18 18 VAL H H 17 8.329 8.335 -0.006 1
1 206 . 18 1 1 A 18 18 VAL HA H 17 3.938 3.476 0.462 1
1 214 . 18 1 1 A 18 18 VAL C C 17 179.744 178.207 1.537 1
1 215 . 18 1 1 A 18 18 VAL CA C 17 65.441 66.487 -1.046 1
1 216 . 18 1 1 A 18 18 VAL CB C 17 32.080 31.299 0.781 1
1 219 . 18 1 1 A 18 18 VAL N N 17 116.752 120.111 -3.359 1
1 220 . 18 1 1 A 19 19 GLU H H 18 7.445 8.020 -0.575 1
1 221 . 18 1 1 A 19 19 GLU HA H 18 4.270 3.950 0.320 1
1 226 . 18 1 1 A 19 19 GLU C C 18 177.625 178.037 -0.412 1
1 227 . 18 1 1 A 19 19 GLU CA C 18 58.637 59.258 -0.621 1
1 228 . 18 1 1 A 19 19 GLU CB C 18 29.398 29.069 0.329 1
1 230 . 18 1 1 A 19 19 GLU N N 18 120.323 120.041 0.282 1
1 231 . 18 1 1 A 20 20 ASP H H 19 8.690 7.795 0.895 1
1 232 . 18 1 1 A 20 20 ASP HA H 19 4.514 4.282 0.232 1
1 235 . 18 1 1 A 20 20 ASP C C 19 179.877 178.637 1.240 1
1 236 . 18 1 1 A 20 20 ASP CA C 19 57.224 57.477 -0.253 1
1 237 . 18 1 1 A 20 20 ASP CB C 19 41.487 40.913 0.574 1
1 238 . 18 1 1 A 20 20 ASP N N 19 120.313 120.059 0.254 1
1 239 . 18 1 1 A 21 21 VAL H H 20 7.731 7.601 0.130 1
1 240 . 18 1 1 A 21 21 VAL HA H 20 3.394 3.290 0.104 1
1 248 . 18 1 1 A 21 21 VAL C C 20 176.989 177.756 -0.767 1
1 249 . 18 1 1 A 21 21 VAL CA C 20 65.989 66.389 -0.400 1
1 250 . 18 1 1 A 21 21 VAL CB C 20 31.291 31.434 -0.143 1
1 253 . 18 1 1 A 21 21 VAL N N 20 119.119 119.144 -0.025 1
1 254 . 18 1 1 A 22 22 ARG H H 21 8.313 7.888 0.425 1
1 255 . 18 1 1 A 22 22 ARG HA H 21 3.825 3.996 -0.171 1
1 263 . 18 1 1 A 22 22 ARG C C 21 180.178 178.050 2.128 1
1 264 . 18 1 1 A 22 22 ARG CA C 21 59.821 59.038 0.783 1
1 265 . 18 1 1 A 22 22 ARG CB C 21 30.164 30.016 0.148 1
1 269 . 18 1 1 A 22 22 ARG N N 21 120.772 120.380 0.392 1
1 271 . 18 1 1 A 23 23 LEU H H 22 8.306 7.623 0.683 1
1 272 . 18 1 1 A 23 23 LEU HA H 22 4.076 4.006 0.070 1
1 282 . 18 1 1 A 23 23 LEU C C 22 180.221 179.544 0.677 1
1 283 . 18 1 1 A 23 23 LEU CA C 22 57.541 57.903 -0.362 1
1 284 . 18 1 1 A 23 23 LEU CB C 22 42.300 41.829 0.471 1
1 288 . 18 1 1 A 23 23 LEU N N 22 116.413 119.522 -3.109 1
1 289 . 18 1 1 A 24 24 ILE H H 23 7.864 8.063 -0.199 1
1 290 . 18 1 1 A 24 24 ILE HA H 23 4.090 3.847 0.243 1
1 300 . 18 1 1 A 24 24 ILE C C 23 177.922 178.298 -0.376 1
1 301 . 18 1 1 A 24 24 ILE CA C 23 60.190 63.400 -3.210 1
1 302 . 18 1 1 A 24 24 ILE CB C 23 38.072 37.339 0.733 1
1 306 . 18 1 1 A 24 24 ILE N N 23 121.259 118.445 2.814 1
1 307 . 18 1 1 A 25 25 ARG H H 24 8.339 8.147 0.192 1
1 308 . 18 1 1 A 25 25 ARG HA H 24 3.973 4.024 -0.051 1
1 316 . 18 1 1 A 25 25 ARG C C 24 178.479 177.959 0.520 1
1 317 . 18 1 1 A 25 25 ARG CA C 24 57.337 59.103 -1.766 1
1 318 . 18 1 1 A 25 25 ARG CB C 24 28.663 30.114 -1.451 1
1 322 . 18 1 1 A 25 25 ARG N N 24 121.816 121.014 0.802 1
1 324 . 18 1 1 A 26 26 GLU H H 25 7.133 7.955 -0.822 1
1 325 . 18 1 1 A 26 26 GLU HA H 25 4.052 4.248 -0.196 1
1 330 . 18 1 1 A 26 26 GLU C C 25 178.158 176.860 1.298 1
1 331 . 18 1 1 A 26 26 GLU CA C 25 58.367 57.380 0.987 1
1 332 . 18 1 1 A 26 26 GLU CB C 25 29.903 30.005 -0.102 1
1 334 . 18 1 1 A 26 26 GLU N N 25 116.794 117.263 -0.469 1
1 335 . 18 1 1 A 27 27 GLN H H 26 7.283 7.929 -0.646 1
1 336 . 18 1 1 A 27 27 GLN HA H 26 3.888 4.383 -0.495 1
1 343 . 18 1 1 A 27 27 GLN C C 26 176.088 175.960 0.128 1
1 344 . 18 1 1 A 27 27 GLN CA C 26 57.676 57.053 0.623 1
1 345 . 18 1 1 A 27 27 GLN CB C 26 30.382 30.571 -0.189 1
1 348 . 18 1 1 A 27 27 GLN N N 26 116.373 118.039 -1.666 1
1 350 . 18 1 1 A 28 28 HIS H H 27 8.223 8.521 -0.298 1
1 351 . 18 1 1 A 28 28 HIS HA H 27 4.941 5.122 -0.181 1
1 356 . 18 1 1 A 28 28 HIS CA C 27 53.278 53.228 0.050 1
1 357 . 18 1 1 A 28 28 HIS CB C 27 30.933 29.703 1.230 1
1 360 . 18 1 1 A 28 28 HIS N N 27 115.408 116.423 -1.015 1
1 361 . 18 1 1 A 29 29 PRO HA H 28 4.562 4.340 0.222 1
1 368 . 18 1 1 A 29 29 PRO C C 28 178.046 177.800 0.246 1
1 369 . 18 1 1 A 29 29 PRO CA C 28 64.821 64.471 0.350 1
1 370 . 18 1 1 A 29 29 PRO CB C 28 32.447 31.887 0.560 1
1 373 . 18 1 1 A 30 30 THR H H 29 7.820 7.705 0.115 1
1 374 . 18 1 1 A 30 30 THR HA H 29 4.583 4.332 0.251 1
1 379 . 18 1 1 A 30 30 THR C C 29 172.723 173.624 -0.901 1
1 380 . 18 1 1 A 30 30 THR CA C 29 60.826 62.081 -1.255 1
1 381 . 18 1 1 A 30 30 THR CB C 29 68.641 69.247 -0.606 1
1 383 . 18 1 1 A 30 30 THR N N 29 106.682 107.861 -1.179 1
1 384 . 18 1 1 A 31 31 LYS H H 30 7.453 7.236 0.217 1
1 385 . 18 1 1 A 31 31 LYS HA H 30 4.850 5.193 -0.343 1
1 394 . 18 1 1 A 31 31 LYS C C 30 174.296 174.916 -0.620 1
1 395 . 18 1 1 A 31 31 LYS CA C 30 53.944 54.537 -0.593 1
1 396 . 18 1 1 A 31 31 LYS CB C 30 36.098 36.647 -0.549 1
1 400 . 18 1 1 A 31 31 LYS N N 30 117.809 120.366 -2.557 1
1 401 . 18 1 1 A 32 32 ILE H H 31 9.265 9.337 -0.072 1
1 402 . 18 1 1 A 32 32 ILE HA H 31 4.106 4.209 -0.103 1
1 412 . 18 1 1 A 32 32 ILE CA C 31 54.606 57.431 -2.825 1
1 413 . 18 1 1 A 32 32 ILE CB C 31 38.448 39.479 -1.031 1
1 417 . 18 1 1 A 32 32 ILE N N 31 122.497 121.870 0.627 1
1 418 . 18 1 1 A 33 33 PRO HA H 32 5.252 4.980 0.272 1
1 425 . 18 1 1 A 33 33 PRO C C 32 174.652 176.755 -2.103 1
1 426 . 18 1 1 A 33 33 PRO CA C 32 61.704 62.582 -0.878 1
1 427 . 18 1 1 A 33 33 PRO CB C 32 31.873 32.108 -0.235 1
1 430 . 18 1 1 A 34 34 VAL H H 33 9.359 8.634 0.725 1
1 431 . 18 1 1 A 34 34 VAL HA H 33 5.298 5.059 0.239 1
1 439 . 18 1 1 A 34 34 VAL C C 33 173.633 174.616 -0.983 1
1 440 . 18 1 1 A 34 34 VAL CA C 33 59.830 59.574 0.256 1
1 441 . 18 1 1 A 34 34 VAL CB C 33 36.154 36.455 -0.301 1
1 444 . 18 1 1 A 34 34 VAL N N 33 124.496 116.655 7.841 1
1 445 . 18 1 1 A 35 35 ILE H H 34 8.667 8.920 -0.253 1
1 446 . 18 1 1 A 35 35 ILE HA H 34 4.867 4.786 0.081 1
1 456 . 18 1 1 A 35 35 ILE C C 34 175.770 174.796 0.974 1
1 457 . 18 1 1 A 35 35 ILE CA C 34 56.320 60.380 -4.060 1
1 458 . 18 1 1 A 35 35 ILE CB C 34 36.909 39.485 -2.576 1
1 462 . 18 1 1 A 35 35 ILE N N 34 127.447 121.654 5.793 1
1 463 . 18 1 1 A 36 36 ILE H H 35 8.422 8.672 -0.250 1
1 464 . 18 1 1 A 36 36 ILE HA H 35 4.890 4.896 -0.006 1
1 474 . 18 1 1 A 36 36 ILE C C 35 175.098 175.803 -0.705 1
1 475 . 18 1 1 A 36 36 ILE CA C 35 60.806 60.600 0.206 1
1 476 . 18 1 1 A 36 36 ILE CB C 35 39.357 38.103 1.254 1
1 480 . 18 1 1 A 36 36 ILE N N 35 124.267 128.881 -4.614 1
1 481 . 18 1 1 A 37 37 GLU H H 36 8.335 8.883 -0.548 1
1 482 . 18 1 1 A 37 37 GLU HA H 36 4.820 4.994 -0.174 1
1 487 . 18 1 1 A 37 37 GLU C C 36 173.502 175.605 -2.103 1
1 488 . 18 1 1 A 37 37 GLU CA C 36 54.214 54.190 0.024 1
1 489 . 18 1 1 A 37 37 GLU CB C 36 35.547 33.794 1.753 1
1 491 . 18 1 1 A 37 37 GLU N N 36 123.296 126.025 -2.729 1
1 492 . 18 1 1 A 38 38 ARG H H 37 8.891 8.226 0.665 1
1 493 . 18 1 1 A 38 38 ARG HA H 37 2.755 3.606 -0.851 1
1 501 . 18 1 1 A 38 38 ARG C C 37 176.165 175.431 0.734 1
1 502 . 18 1 1 A 38 38 ARG CA C 37 56.235 55.925 0.310 1
1 503 . 18 1 1 A 38 38 ARG CB C 37 31.328 30.565 0.763 1
1 507 . 18 1 1 A 38 38 ARG N N 37 123.143 121.553 1.590 1
1 509 . 18 1 1 A 39 39 TYR H H 38 8.681 7.880 0.801 1
1 510 . 18 1 1 A 39 39 TYR HA H 38 4.331 4.464 -0.133 1
1 517 . 18 1 1 A 39 39 TYR C C 38 177.064 175.776 1.288 1
1 518 . 18 1 1 A 39 39 TYR CA C 38 57.769 59.004 -1.235 1
1 519 . 18 1 1 A 39 39 TYR CB C 38 39.552 38.944 0.608 1
1 522 . 18 1 1 A 39 39 TYR N N 38 128.699 122.980 5.719 1
1 523 . 18 1 1 A 40 40 LYS H H 39 8.454 8.170 0.284 1
1 524 . 18 1 1 A 40 40 LYS HA H 39 3.841 3.702 0.139 1
1 533 . 18 1 1 A 40 40 LYS C C 39 176.290 177.138 -0.848 1
1 534 . 18 1 1 A 40 40 LYS CA C 39 58.772 57.905 0.867 1
1 535 . 18 1 1 A 40 40 LYS CB C 39 31.738 31.585 0.153 1
1 539 . 18 1 1 A 40 40 LYS N N 39 130.022 125.798 4.224 1
1 540 . 18 1 1 A 41 41 GLY H H 40 5.457 8.647 -3.190 1
1 541 . 18 1 1 A 41 41 GLY HA2 H 40 3.306 4.004 -0.698 1
1 542 . 18 1 1 A 41 41 GLY HA3 H 40 3.999 4.103 -0.104 1
1 543 . 18 1 1 A 41 41 GLY C C 40 173.426 174.068 -0.642 1
1 544 . 18 1 1 A 41 41 GLY CA C 40 44.673 45.517 -0.844 1
1 545 . 18 1 1 A 41 41 GLY N N 40 104.628 112.976 -8.348 1
1 546 . 18 1 1 A 42 42 GLU H H 41 7.440 8.286 -0.846 1
1 547 . 18 1 1 A 42 42 GLU HA H 41 4.278 4.611 -0.333 1
1 552 . 18 1 1 A 42 42 GLU C C 41 176.306 176.513 -0.207 1
1 553 . 18 1 1 A 42 42 GLU CA C 41 56.358 55.134 1.224 1
1 554 . 18 1 1 A 42 42 GLU CB C 41 31.014 30.783 0.231 1
1 556 . 18 1 1 A 42 42 GLU N N 41 122.648 120.653 1.995 1
1 557 . 18 1 1 A 43 43 LYS H H 42 8.912 8.442 0.470 1
1 558 . 18 1 1 A 43 43 LYS HA H 42 4.680 4.573 0.107 1
1 567 . 18 1 1 A 43 43 LYS C C 42 177.063 178.424 -1.361 1
1 568 . 18 1 1 A 43 43 LYS CA C 42 55.652 56.944 -1.292 1
1 569 . 18 1 1 A 43 43 LYS CB C 42 34.871 34.127 0.744 1
1 573 . 18 1 1 A 43 43 LYS N N 42 123.569 123.327 0.242 1
1 574 . 18 1 1 A 44 44 GLN H H 43 8.446 8.113 0.333 1
1 575 . 18 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1
1 582 . 18 1 1 A 44 44 GLN C C 43 177.152 177.058 0.094 1
1 583 . 18 1 1 A 44 44 GLN CA C 43 57.561 58.793 -1.232 1
1 584 . 18 1 1 A 44 44 GLN CB C 43 30.671 28.611 2.060 1
1 587 . 18 1 1 A 44 44 GLN N N 43 118.990 118.578 0.412 1
1 589 . 18 1 1 A 45 45 LEU H H 44 9.043 8.263 0.780 1
1 590 . 18 1 1 A 45 45 LEU HA H 44 4.716 4.485 0.231 1
1 600 . 18 1 1 A 45 45 LEU CA C 44 53.078 53.896 -0.818 1
1 601 . 18 1 1 A 45 45 LEU CB C 44 43.614 41.169 2.445 1
1 605 . 18 1 1 A 45 45 LEU N N 44 120.375 120.184 0.191 1
1 606 . 18 1 1 A 46 46 PRO HA H 45 4.723 4.642 0.081 1
1 613 . 18 1 1 A 46 46 PRO C C 45 175.883 175.947 -0.064 1
1 614 . 18 1 1 A 46 46 PRO CA C 45 62.005 62.252 -0.247 1
1 615 . 18 1 1 A 46 46 PRO CB C 45 32.609 32.403 0.206 1
1 618 . 18 1 1 A 47 47 VAL H H 46 8.437 8.542 -0.105 1
1 619 . 18 1 1 A 47 47 VAL HA H 46 3.914 4.806 -0.892 1
1 627 . 18 1 1 A 47 47 VAL C C 46 175.367 175.776 -0.409 1
1 628 . 18 1 1 A 47 47 VAL CA C 46 62.700 61.713 0.987 1
1 629 . 18 1 1 A 47 47 VAL CB C 46 32.927 32.136 0.791 1
1 632 . 18 1 1 A 47 47 VAL N N 46 118.440 121.224 -2.784 1
1 633 . 18 1 1 A 48 48 LEU H H 47 7.863 8.627 -0.764 1
1 634 . 18 1 1 A 48 48 LEU HA H 47 4.384 4.070 0.314 1
1 644 . 18 1 1 A 48 48 LEU C C 47 176.088 177.819 -1.731 1
1 645 . 18 1 1 A 48 48 LEU CA C 47 54.851 55.966 -1.115 1
1 646 . 18 1 1 A 48 48 LEU CB C 47 43.841 44.094 -0.253 1
1 650 . 18 1 1 A 48 48 LEU N N 47 129.127 129.240 -0.113 1
1 651 . 18 1 1 A 49 49 ASP H H 48 8.699 8.943 -0.244 1
1 652 . 18 1 1 A 49 49 ASP HA H 48 4.293 4.267 0.026 1
1 655 . 18 1 1 A 49 49 ASP C C 48 175.121 175.828 -0.707 1
1 656 . 18 1 1 A 49 49 ASP CA C 48 55.717 57.627 -1.910 1
1 657 . 18 1 1 A 49 49 ASP CB C 48 40.260 40.982 -0.722 1
1 658 . 18 1 1 A 49 49 ASP N N 48 121.389 125.414 -4.025 1
1 659 . 18 1 1 A 50 50 LYS H H 49 7.251 7.466 -0.215 1
1 660 . 18 1 1 A 50 50 LYS HA H 49 4.540 4.646 -0.106 1
1 669 . 18 1 1 A 50 50 LYS C C 49 174.664 175.227 -0.563 1
1 670 . 18 1 1 A 50 50 LYS CA C 49 53.211 54.787 -1.576 1
1 671 . 18 1 1 A 50 50 LYS CB C 49 35.514 34.142 1.372 1
1 675 . 18 1 1 A 50 50 LYS N N 49 118.260 113.047 5.213 1
1 676 . 18 1 1 A 51 51 THR H H 50 8.162 8.146 0.016 1
1 677 . 18 1 1 A 51 51 THR HA H 50 4.685 4.716 -0.031 1
1 682 . 18 1 1 A 51 51 THR C C 50 171.631 174.572 -2.941 1
1 683 . 18 1 1 A 51 51 THR CA C 50 63.581 63.037 0.544 1
1 684 . 18 1 1 A 51 51 THR CB C 50 71.587 70.512 1.075 1
1 686 . 18 1 1 A 51 51 THR N N 50 112.535 113.389 -0.854 1
1 687 . 18 1 1 A 52 52 LYS H H 51 6.971 7.509 -0.538 1
1 688 . 18 1 1 A 52 52 LYS HA H 51 4.443 4.750 -0.307 1
1 697 . 18 1 1 A 52 52 LYS C C 51 175.417 175.975 -0.558 1
1 698 . 18 1 1 A 52 52 LYS CA C 51 55.209 55.504 -0.295 1
1 699 . 18 1 1 A 52 52 LYS CB C 51 33.309 33.853 -0.544 1
1 703 . 18 1 1 A 52 52 LYS N N 51 120.227 118.512 1.715 1
1 704 . 18 1 1 A 53 53 PHE H H 52 9.688 8.813 0.875 1
1 705 . 18 1 1 A 53 53 PHE HA H 52 5.675 4.979 0.696 1
1 712 . 18 1 1 A 53 53 PHE C C 52 174.348 174.692 -0.344 1
1 713 . 18 1 1 A 53 53 PHE CA C 52 56.625 56.655 -0.030 1
1 714 . 18 1 1 A 53 53 PHE CB C 52 43.109 43.122 -0.013 1
1 716 . 18 1 1 A 53 53 PHE N N 52 124.646 121.167 3.479 1
1 717 . 18 1 1 A 54 54 LEU H H 53 8.470 9.074 -0.604 1
1 718 . 18 1 1 A 54 54 LEU HA H 53 5.044 4.893 0.151 1
1 728 . 18 1 1 A 54 54 LEU C C 53 176.144 175.245 0.899 1
1 729 . 18 1 1 A 54 54 LEU CA C 53 52.954 53.303 -0.349 1
1 730 . 18 1 1 A 54 54 LEU CB C 53 45.081 42.258 2.823 1
1 734 . 18 1 1 A 54 54 LEU N N 53 119.430 124.047 -4.617 1
1 735 . 18 1 1 A 55 55 VAL H H 54 8.802 8.630 0.172 1
1 736 . 18 1 1 A 55 55 VAL HA H 54 4.640 4.636 0.004 1
1 744 . 18 1 1 A 55 55 VAL CA C 54 58.549 59.918 -1.369 1
1 745 . 18 1 1 A 55 55 VAL CB C 54 35.342 33.389 1.953 1
1 748 . 18 1 1 A 55 55 VAL N N 54 123.841 125.334 -1.493 1
1 749 . 18 1 1 A 56 56 PRO HA H 55 4.439 4.890 -0.451 1
1 756 . 18 1 1 A 56 56 PRO C C 55 176.666 176.690 -0.024 1
1 757 . 18 1 1 A 56 56 PRO CA C 55 64.256 62.513 1.743 1
1 758 . 18 1 1 A 56 56 PRO CB C 55 32.783 31.962 0.821 1
1 761 . 18 1 1 A 57 57 ASP H H 56 8.412 8.523 -0.111 1
1 762 . 18 1 1 A 57 57 ASP HA H 56 3.848 4.539 -0.691 1
1 765 . 18 1 1 A 57 57 ASP C C 56 175.417 176.648 -1.231 1
1 766 . 18 1 1 A 57 57 ASP CA C 56 56.616 53.864 2.752 1
1 767 . 18 1 1 A 57 57 ASP CB C 56 40.410 40.071 0.339 1
1 768 . 18 1 1 A 57 57 ASP N N 56 120.415 122.979 -2.564 1
1 769 . 18 1 1 A 58 58 HIS H H 57 7.373 7.873 -0.500 1
1 770 . 18 1 1 A 58 58 HIS HA H 57 4.770 4.873 -0.103 1
1 775 . 18 1 1 A 58 58 HIS C C 57 176.594 174.141 2.453 1
1 776 . 18 1 1 A 58 58 HIS CA C 57 55.584 55.134 0.450 1
1 777 . 18 1 1 A 58 58 HIS CB C 57 30.628 31.441 -0.813 1
1 780 . 18 1 1 A 58 58 HIS N N 57 113.439 114.667 -1.228 1
1 781 . 18 1 1 A 59 59 VAL H H 58 7.249 7.461 -0.212 1
1 782 . 18 1 1 A 59 59 VAL HA H 58 3.903 4.735 -0.832 1
1 790 . 18 1 1 A 59 59 VAL C C 58 175.014 173.692 1.322 1
1 791 . 18 1 1 A 59 59 VAL CA C 58 62.726 58.880 3.846 1
1 792 . 18 1 1 A 59 59 VAL CB C 58 32.190 36.012 -3.822 1
1 795 . 18 1 1 A 59 59 VAL N N 58 122.597 115.588 7.009 1
1 796 . 18 1 1 A 60 60 ASN H H 59 8.677 8.336 0.341 1
1 797 . 18 1 1 A 60 60 ASN HA H 59 5.187 5.169 0.018 1
1 802 . 18 1 1 A 60 60 ASN C C 59 176.477 176.926 -0.449 1
1 803 . 18 1 1 A 60 60 ASN CA C 59 51.181 51.225 -0.044 1
1 804 . 18 1 1 A 60 60 ASN CB C 59 39.947 41.172 -1.225 1
1 806 . 18 1 1 A 60 60 ASN N N 59 122.962 118.455 4.507 1
1 808 . 18 1 1 A 61 61 MET H H 60 8.038 8.743 -0.705 1
1 809 . 18 1 1 A 61 61 MET HA H 60 4.426 4.183 0.243 1
1 817 . 18 1 1 A 61 61 MET C C 60 177.996 178.319 -0.323 1
1 818 . 18 1 1 A 61 61 MET CA C 60 57.118 58.257 -1.139 1
1 819 . 18 1 1 A 61 61 MET CB C 60 29.998 31.973 -1.975 1
1 822 . 18 1 1 A 61 61 MET N N 60 116.814 120.932 -4.118 1
1 823 . 18 1 1 A 62 62 SER H H 61 8.401 8.210 0.191 1
1 824 . 18 1 1 A 62 62 SER HA H 61 4.132 4.108 0.024 1
1 827 . 18 1 1 A 62 62 SER C C 61 177.255 177.371 -0.116 1
1 828 . 18 1 1 A 62 62 SER CA C 61 61.559 61.394 0.165 1
1 829 . 18 1 1 A 62 62 SER CB C 61 62.430 63.042 -0.612 1
1 830 . 18 1 1 A 62 62 SER N N 61 114.109 116.177 -2.068 1
1 831 . 18 1 1 A 63 63 GLU H H 62 8.014 8.389 -0.375 1
1 832 . 18 1 1 A 63 63 GLU HA H 62 4.016 4.060 -0.044 1
1 837 . 18 1 1 A 63 63 GLU C C 62 178.327 178.519 -0.192 1
1 838 . 18 1 1 A 63 63 GLU CA C 62 58.787 59.141 -0.354 1
1 839 . 18 1 1 A 63 63 GLU CB C 62 29.814 29.240 0.574 1
1 841 . 18 1 1 A 63 63 GLU N N 62 122.806 121.797 1.009 1
1 842 . 18 1 1 A 64 64 LEU H H 63 8.254 8.141 0.113 1
1 843 . 18 1 1 A 64 64 LEU HA H 63 3.932 3.971 -0.039 1
1 853 . 18 1 1 A 64 64 LEU C C 63 178.029 178.522 -0.493 1
1 854 . 18 1 1 A 64 64 LEU CA C 63 57.986 58.085 -0.099 1
1 855 . 18 1 1 A 64 64 LEU CB C 63 41.377 41.911 -0.534 1
1 859 . 18 1 1 A 64 64 LEU N N 63 120.526 121.886 -1.360 1
1 860 . 18 1 1 A 65 65 ILE H H 64 8.415 8.002 0.413 1
1 861 . 18 1 1 A 65 65 ILE HA H 64 3.377 3.728 -0.351 1
1 871 . 18 1 1 A 65 65 ILE C C 64 177.078 177.696 -0.618 1
1 872 . 18 1 1 A 65 65 ILE CA C 64 66.699 65.710 0.989 1
1 873 . 18 1 1 A 65 65 ILE CB C 64 38.128 38.134 -0.006 1
1 877 . 18 1 1 A 65 65 ILE N N 64 118.349 119.858 -1.509 1
1 878 . 18 1 1 A 66 66 LYS H H 65 7.366 7.888 -0.522 1
1 879 . 18 1 1 A 66 66 LYS HA H 65 3.696 4.093 -0.397 1
1 888 . 18 1 1 A 66 66 LYS C C 65 179.260 178.811 0.449 1
1 889 . 18 1 1 A 66 66 LYS CA C 65 60.593 58.459 2.134 1
1 890 . 18 1 1 A 66 66 LYS CB C 65 32.421 32.057 0.364 1
1 894 . 18 1 1 A 66 66 LYS N N 65 118.334 119.026 -0.692 1
1 895 . 18 1 1 A 67 67 ILE H H 66 8.179 7.627 0.552 1
1 896 . 18 1 1 A 67 67 ILE HA H 66 3.546 3.890 -0.344 1
1 906 . 18 1 1 A 67 67 ILE C C 66 178.784 178.354 0.430 1
1 907 . 18 1 1 A 67 67 ILE CA C 66 65.488 64.368 1.120 1
1 908 . 18 1 1 A 67 67 ILE CB C 66 38.593 37.108 1.485 1
1 912 . 18 1 1 A 67 67 ILE N N 66 119.791 118.795 0.996 1
1 913 . 18 1 1 A 68 68 ILE H H 67 8.279 8.041 0.238 1
1 914 . 18 1 1 A 68 68 ILE HA H 67 3.391 3.356 0.035 1
1 924 . 18 1 1 A 68 68 ILE C C 67 177.403 177.548 -0.145 1
1 925 . 18 1 1 A 68 68 ILE CA C 67 63.144 64.834 -1.690 1
1 926 . 18 1 1 A 68 68 ILE CB C 67 35.269 37.383 -2.114 1
1 930 . 18 1 1 A 68 68 ILE N N 67 120.267 121.724 -1.457 1
1 931 . 18 1 1 A 69 69 ARG H H 68 8.454 7.490 0.964 1
1 932 . 18 1 1 A 69 69 ARG HA H 68 2.966 3.454 -0.488 1
1 939 . 18 1 1 A 69 69 ARG C C 68 178.385 177.780 0.605 1
1 940 . 18 1 1 A 69 69 ARG CA C 68 60.642 58.374 2.268 1
1 941 . 18 1 1 A 69 69 ARG CB C 68 30.442 29.575 0.867 1
1 944 . 18 1 1 A 69 69 ARG N N 68 118.881 119.813 -0.932 1
1 945 . 18 1 1 A 70 70 ARG H H 69 7.492 7.948 -0.456 1
1 946 . 18 1 1 A 70 70 ARG HA H 69 4.164 4.037 0.127 1
1 954 . 18 1 1 A 70 70 ARG C C 69 180.253 179.041 1.212 1
1 955 . 18 1 1 A 70 70 ARG CA C 69 58.510 59.509 -0.999 1
1 956 . 18 1 1 A 70 70 ARG CB C 69 29.587 30.026 -0.439 1
1 960 . 18 1 1 A 70 70 ARG N N 69 116.411 119.611 -3.200 1
1 962 . 18 1 1 A 71 71 ARG H H 70 8.086 8.301 -0.215 1
1 963 . 18 1 1 A 71 71 ARG HA H 70 4.025 4.016 0.009 1
1 970 . 18 1 1 A 71 71 ARG C C 70 178.558 178.702 -0.144 1
1 971 . 18 1 1 A 71 71 ARG CA C 70 59.428 58.591 0.837 1
1 972 . 18 1 1 A 71 71 ARG CB C 70 30.235 29.918 0.317 1
1 975 . 18 1 1 A 71 71 ARG N N 70 122.779 119.423 3.356 1
1 976 . 18 1 1 A 72 72 LEU H H 71 7.755 7.303 0.452 1
1 977 . 18 1 1 A 72 72 LEU HA H 71 4.081 4.001 0.080 1
1 987 . 18 1 1 A 72 72 LEU C C 71 174.852 176.870 -2.018 1
1 988 . 18 1 1 A 72 72 LEU CA C 71 55.060 56.501 -1.441 1
1 989 . 18 1 1 A 72 72 LEU CB C 71 43.109 41.722 1.387 1
1 993 . 18 1 1 A 72 72 LEU N N 71 116.551 118.985 -2.434 1
1 994 . 18 1 1 A 73 73 GLN H H 72 7.740 7.689 0.051 1
1 995 . 18 1 1 A 73 73 GLN HA H 72 3.853 3.945 -0.092 1
1 1002 . 18 1 1 A 73 73 GLN C C 72 175.619 175.001 0.618 1
1 1003 . 18 1 1 A 73 73 GLN CA C 72 56.273 56.595 -0.322 1
1 1004 . 18 1 1 A 73 73 GLN CB C 72 25.939 26.303 -0.364 1
1 1007 . 18 1 1 A 73 73 GLN N N 72 114.737 117.521 -2.784 1
1 1009 . 18 1 1 A 74 74 LEU H H 73 7.525 7.956 -0.431 1
1 1010 . 18 1 1 A 74 74 LEU HA H 73 4.242 4.398 -0.156 1
1 1020 . 18 1 1 A 74 74 LEU C C 73 178.611 175.743 2.868 1
1 1021 . 18 1 1 A 74 74 LEU CA C 73 54.382 54.553 -0.171 1
1 1022 . 18 1 1 A 74 74 LEU CB C 73 41.995 42.571 -0.576 1
1 1026 . 18 1 1 A 74 74 LEU N N 73 114.861 120.729 -5.868 1
1 1027 . 18 1 1 A 75 75 ASN H H 74 8.970 8.594 0.376 1
1 1028 . 18 1 1 A 75 75 ASN HA H 74 4.694 5.076 -0.382 1
1 1033 . 18 1 1 A 75 75 ASN C C 74 176.527 176.222 0.305 1
1 1034 . 18 1 1 A 75 75 ASN CA C 74 52.686 51.528 1.158 1
1 1035 . 18 1 1 A 75 75 ASN CB C 74 39.583 41.534 -1.951 1
1 1037 . 18 1 1 A 75 75 ASN N N 74 121.274 117.030 4.244 1
1 1039 . 18 1 1 A 76 76 ALA H H 75 8.697 8.741 -0.044 1
1 1040 . 18 1 1 A 76 76 ALA HA H 75 3.966 4.143 -0.177 1
1 1044 . 18 1 1 A 76 76 ALA C C 75 178.002 178.158 -0.156 1
1 1045 . 18 1 1 A 76 76 ALA CA C 75 54.797 54.172 0.625 1
1 1046 . 18 1 1 A 76 76 ALA CB C 75 18.669 18.555 0.114 1
1 1047 . 18 1 1 A 76 76 ALA N N 75 123.590 122.119 1.471 1
1 1048 . 18 1 1 A 77 77 ASN H H 76 8.344 7.974 0.370 1
1 1049 . 18 1 1 A 77 77 ASN HA H 76 4.585 4.756 -0.171 1
1 1054 . 18 1 1 A 77 77 ASN C C 76 175.371 175.073 0.298 1
1 1055 . 18 1 1 A 77 77 ASN CA C 76 53.183 54.433 -1.250 1
1 1056 . 18 1 1 A 77 77 ASN CB C 76 38.277 39.343 -1.066 1
1 1058 . 18 1 1 A 77 77 ASN N N 76 112.004 114.681 -2.677 1
1 1060 . 18 1 1 A 78 78 GLN H H 77 7.532 7.614 -0.082 1
1 1061 . 18 1 1 A 78 78 GLN HA H 77 4.281 4.633 -0.352 1
1 1068 . 18 1 1 A 78 78 GLN C C 77 175.001 174.614 0.387 1
1 1069 . 18 1 1 A 78 78 GLN CA C 77 55.875 55.527 0.348 1
1 1070 . 18 1 1 A 78 78 GLN CB C 77 30.227 30.274 -0.047 1
1 1073 . 18 1 1 A 78 78 GLN N N 77 120.237 119.741 0.496 1
1 1075 . 18 1 1 A 79 79 ALA H H 78 8.732 8.889 -0.157 1
1 1076 . 18 1 1 A 79 79 ALA HA H 78 4.183 5.217 -1.034 1
1 1080 . 18 1 1 A 79 79 ALA C C 78 176.367 175.675 0.692 1
1 1081 . 18 1 1 A 79 79 ALA CA C 78 52.798 50.253 2.545 1
1 1082 . 18 1 1 A 79 79 ALA CB C 78 20.051 21.230 -1.179 1
1 1083 . 18 1 1 A 79 79 ALA N N 78 130.399 128.682 1.717 1
1 1084 . 18 1 1 A 80 80 PHE H H 79 7.603 8.531 -0.928 1
1 1085 . 18 1 1 A 80 80 PHE HA H 79 4.449 5.231 -0.782 1
1 1093 . 18 1 1 A 80 80 PHE C C 79 171.709 173.059 -1.350 1
1 1094 . 18 1 1 A 80 80 PHE CA C 79 59.101 56.458 2.643 1
1 1095 . 18 1 1 A 80 80 PHE CB C 79 42.282 42.564 -0.282 1
1 1099 . 18 1 1 A 80 80 PHE N N 79 118.988 123.721 -4.733 1
1 1100 . 18 1 1 A 81 81 PHE H H 80 8.507 9.112 -0.605 1
1 1101 . 18 1 1 A 81 81 PHE HA H 80 4.421 4.445 -0.024 1
1 1109 . 18 1 1 A 81 81 PHE C C 80 172.644 173.773 -1.129 1
1 1110 . 18 1 1 A 81 81 PHE CA C 80 56.711 55.956 0.755 1
1 1111 . 18 1 1 A 81 81 PHE CB C 80 41.880 42.484 -0.604 1
1 1115 . 18 1 1 A 81 81 PHE N N 80 126.042 124.848 1.194 1
1 1116 . 18 1 1 A 82 82 LEU H H 81 8.199 8.578 -0.379 1
1 1117 . 18 1 1 A 82 82 LEU HA H 81 4.883 4.925 -0.042 1
1 1127 . 18 1 1 A 82 82 LEU C C 81 174.440 174.699 -0.259 1
1 1128 . 18 1 1 A 82 82 LEU CA C 81 53.153 54.154 -1.001 1
1 1129 . 18 1 1 A 82 82 LEU CB C 81 45.520 43.586 1.934 1
1 1133 . 18 1 1 A 82 82 LEU N N 81 121.512 125.852 -4.340 1
1 1134 . 18 1 1 A 83 83 LEU H H 82 9.349 9.876 -0.527 1
1 1135 . 18 1 1 A 83 83 LEU HA H 82 4.810 5.016 -0.206 1
1 1145 . 18 1 1 A 83 83 LEU C C 82 177.075 175.949 1.126 1
1 1146 . 18 1 1 A 83 83 LEU CA C 82 54.122 53.765 0.357 1
1 1147 . 18 1 1 A 83 83 LEU CB C 82 43.394 42.312 1.082 1
1 1151 . 18 1 1 A 83 83 LEU N N 82 125.253 128.860 -3.607 1
1 1152 . 18 1 1 A 84 84 VAL H H 83 8.681 8.928 -0.247 1
1 1153 . 18 1 1 A 84 84 VAL HA H 83 4.411 3.695 0.716 1
1 1161 . 18 1 1 A 84 84 VAL C C 83 175.797 176.370 -0.573 1
1 1162 . 18 1 1 A 84 84 VAL CA C 83 61.630 62.651 -1.021 1
1 1163 . 18 1 1 A 84 84 VAL CB C 83 33.647 31.009 2.638 1
1 1166 . 18 1 1 A 84 84 VAL N N 83 123.543 125.919 -2.376 1
1 1167 . 18 1 1 A 85 85 ASN H H 84 9.622 9.197 0.425 1
1 1168 . 18 1 1 A 85 85 ASN HA H 84 4.399 4.525 -0.126 1
1 1173 . 18 1 1 A 85 85 ASN C C 84 175.042 174.989 0.053 1
1 1174 . 18 1 1 A 85 85 ASN CA C 84 54.610 54.188 0.422 1
1 1175 . 18 1 1 A 85 85 ASN CB C 84 37.927 36.916 1.011 1
1 1177 . 18 1 1 A 85 85 ASN N N 84 125.848 127.155 -1.307 1
1 1179 . 18 1 1 A 86 86 GLY H H 85 8.551 7.994 0.557 1
1 1180 . 18 1 1 A 86 86 GLY HA2 H 85 3.368 3.899 -0.531 1
1 1181 . 18 1 1 A 86 86 GLY HA3 H 85 4.064 3.902 0.162 1
1 1182 . 18 1 1 A 86 86 GLY C C 85 173.524 173.633 -0.109 1
1 1183 . 18 1 1 A 86 86 GLY CA C 85 45.588 45.160 0.428 1
1 1184 . 18 1 1 A 86 86 GLY N N 85 101.093 104.970 -3.877 1
1 1185 . 18 1 1 A 87 87 HIS H H 86 7.906 7.400 0.506 1
1 1186 . 18 1 1 A 87 87 HIS HA H 86 5.003 5.268 -0.265 1
1 1191 . 18 1 1 A 87 87 HIS C C 86 173.910 174.379 -0.469 1
1 1192 . 18 1 1 A 87 87 HIS CA C 86 54.213 53.750 0.463 1
1 1193 . 18 1 1 A 87 87 HIS CB C 86 31.482 32.851 -1.369 1
1 1196 . 18 1 1 A 87 87 HIS N N 86 117.253 115.841 1.412 1
1 1197 . 18 1 1 A 88 88 SER H H 87 8.846 8.959 -0.113 1
1 1198 . 18 1 1 A 88 88 SER HA H 87 4.702 4.456 0.246 1
1 1201 . 18 1 1 A 88 88 SER C C 87 175.739 175.299 0.440 1
1 1202 . 18 1 1 A 88 88 SER CA C 87 58.245 58.117 0.128 1
1 1203 . 18 1 1 A 88 88 SER CB C 87 63.764 64.804 -1.040 1
1 1204 . 18 1 1 A 88 88 SER N N 87 117.469 115.029 2.440 1
1 1205 . 18 1 1 A 89 89 MET H H 88 9.174 8.378 0.796 1
1 1206 . 18 1 1 A 89 89 MET HA H 88 4.820 4.912 -0.092 1
1 1214 . 18 1 1 A 89 89 MET C C 88 176.294 177.063 -0.769 1
1 1215 . 18 1 1 A 89 89 MET CA C 88 54.853 54.039 0.814 1
1 1216 . 18 1 1 A 89 89 MET CB C 88 33.183 32.669 0.514 1
1 1219 . 18 1 1 A 89 89 MET N N 88 125.111 118.382 6.729 1
1 1220 . 18 1 1 A 90 90 VAL H H 89 8.217 8.118 0.099 1
1 1221 . 18 1 1 A 90 90 VAL HA H 89 4.063 3.858 0.205 1
1 1229 . 18 1 1 A 90 90 VAL C C 89 176.249 176.455 -0.206 1
1 1230 . 18 1 1 A 90 90 VAL CA C 89 63.377 65.321 -1.944 1
1 1231 . 18 1 1 A 90 90 VAL CB C 89 32.473 31.277 1.196 1
1 1234 . 18 1 1 A 90 90 VAL N N 89 120.477 121.168 -0.691 1
1 1235 . 18 1 1 A 91 91 SER H H 90 8.356 7.890 0.466 1
1 1236 . 18 1 1 A 91 91 SER HA H 90 4.614 4.635 -0.021 1
1 1239 . 18 1 1 A 91 91 SER C C 90 175.841 175.394 0.447 1
1 1240 . 18 1 1 A 91 91 SER CA C 90 57.860 57.470 0.390 1
1 1241 . 18 1 1 A 91 91 SER CB C 90 63.398 62.690 0.708 1
1 1242 . 18 1 1 A 91 91 SER N N 90 116.676 114.808 1.868 1
1 1243 . 18 1 1 A 92 92 VAL H H 91 8.158 7.907 0.251 1
1 1244 . 18 1 1 A 92 92 VAL HA H 91 4.245 3.666 0.579 1
1 1252 . 18 1 1 A 92 92 VAL C C 91 175.856 176.051 -0.195 1
1 1253 . 18 1 1 A 92 92 VAL CA C 91 63.121 66.078 -2.957 1
1 1254 . 18 1 1 A 92 92 VAL CB C 91 31.872 31.778 0.094 1
1 1257 . 18 1 1 A 92 92 VAL N N 91 119.994 121.908 -1.914 1
1 1258 . 18 1 1 A 93 93 SER H H 92 8.368 8.111 0.257 1
1 1259 . 18 1 1 A 93 93 SER HA H 92 4.581 4.112 0.469 1
1 1262 . 18 1 1 A 93 93 SER C C 92 174.154 173.037 1.117 1
1 1263 . 18 1 1 A 93 93 SER CA C 92 57.706 59.203 -1.497 1
1 1264 . 18 1 1 A 93 93 SER CB C 92 63.126 61.998 1.128 1
1 1265 . 18 1 1 A 93 93 SER N N 92 116.504 115.724 0.780 1
1 1266 . 18 1 1 A 94 94 THR H H 93 7.427 7.655 -0.228 1
1 1267 . 18 1 1 A 94 94 THR HA H 93 4.464 4.839 -0.375 1
1 1272 . 18 1 1 A 94 94 THR CA C 93 61.032 59.261 1.771 1
1 1273 . 18 1 1 A 94 94 THR CB C 93 70.505 72.211 -1.706 1
1 1275 . 18 1 1 A 94 94 THR N N 93 119.172 113.910 5.262 1
1 1276 . 18 1 1 A 95 95 PRO HA H 94 4.426 4.720 -0.294 1
1 1283 . 18 1 1 A 95 95 PRO C C 94 178.692 178.021 0.671 1
1 1284 . 18 1 1 A 95 95 PRO CA C 94 62.921 62.717 0.204 1
1 1285 . 18 1 1 A 95 95 PRO CB C 94 32.774 32.303 0.471 1
1 1288 . 18 1 1 A 96 96 ILE H H 95 9.324 8.951 0.373 1
1 1289 . 18 1 1 A 96 96 ILE HA H 95 3.956 3.958 -0.002 1
1 1299 . 18 1 1 A 96 96 ILE C C 95 176.415 177.330 -0.915 1
1 1300 . 18 1 1 A 96 96 ILE CA C 95 63.880 63.865 0.015 1
1 1301 . 18 1 1 A 96 96 ILE CB C 95 38.055 37.743 0.312 1
1 1305 . 18 1 1 A 96 96 ILE N N 95 123.862 125.872 -2.010 1
1 1306 . 18 1 1 A 97 97 SER H H 96 8.211 8.388 -0.177 1
1 1307 . 18 1 1 A 97 97 SER HA H 96 3.978 4.153 -0.175 1
1 1310 . 18 1 1 A 97 97 SER C C 96 176.494 177.298 -0.804 1
1 1311 . 18 1 1 A 97 97 SER CA C 96 61.576 61.283 0.293 1
1 1312 . 18 1 1 A 97 97 SER CB C 96 61.262 62.311 -1.049 1
1 1313 . 18 1 1 A 97 97 SER N N 96 116.529 117.262 -0.733 1
1 1314 . 18 1 1 A 98 98 GLU H H 97 7.329 8.045 -0.716 1
1 1315 . 18 1 1 A 98 98 GLU HA H 97 4.290 4.209 0.081 1
1 1320 . 18 1 1 A 98 98 GLU C C 97 179.288 179.212 0.076 1
1 1321 . 18 1 1 A 98 98 GLU CA C 97 58.705 59.395 -0.690 1
1 1322 . 18 1 1 A 98 98 GLU CB C 97 29.791 30.227 -0.436 1
1 1324 . 18 1 1 A 98 98 GLU N N 97 122.955 122.560 0.395 1
1 1325 . 18 1 1 A 99 99 VAL H H 98 7.386 8.408 -1.022 1
1 1326 . 18 1 1 A 99 99 VAL HA H 98 3.815 3.808 0.007 1
1 1334 . 18 1 1 A 99 99 VAL C C 98 177.662 178.006 -0.344 1
1 1335 . 18 1 1 A 99 99 VAL CA C 98 65.774 66.133 -0.359 1
1 1336 . 18 1 1 A 99 99 VAL CB C 98 32.047 31.754 0.293 1
1 1339 . 18 1 1 A 99 99 VAL N N 98 120.888 120.806 0.082 1
1 1340 . 18 1 1 A 100 100 TYR H H 99 8.984 8.312 0.672 1
1 1341 . 18 1 1 A 100 100 TYR HA H 99 4.013 4.275 -0.262 1
1 1348 . 18 1 1 A 100 100 TYR C C 99 176.355 178.191 -1.836 1
1 1349 . 18 1 1 A 100 100 TYR CA C 99 62.118 60.976 1.142 1
1 1350 . 18 1 1 A 100 100 TYR CB C 99 38.921 38.433 0.488 1
1 1353 . 18 1 1 A 100 100 TYR N N 99 118.874 120.729 -1.855 1
1 1354 . 18 1 1 A 101 101 GLU H H 100 7.433 8.579 -1.146 1
1 1355 . 18 1 1 A 101 101 GLU HA H 100 3.833 4.231 -0.398 1
1 1360 . 18 1 1 A 101 101 GLU C C 100 177.674 176.846 0.828 1
1 1361 . 18 1 1 A 101 101 GLU CA C 100 58.895 58.115 0.780 1
1 1362 . 18 1 1 A 101 101 GLU CB C 100 29.577 28.678 0.899 1
1 1364 . 18 1 1 A 101 101 GLU N N 100 114.383 117.770 -3.387 1
1 1365 . 18 1 1 A 102 102 SER H H 101 7.423 7.826 -0.403 1
1 1366 . 18 1 1 A 102 102 SER HA H 101 4.552 4.670 -0.118 1
1 1369 . 18 1 1 A 102 102 SER C C 101 176.554 174.672 1.882 1
1 1370 . 18 1 1 A 102 102 SER CA C 101 60.200 58.291 1.909 1
1 1371 . 18 1 1 A 102 102 SER CB C 101 64.828 64.168 0.660 1
1 1372 . 18 1 1 A 102 102 SER N N 101 108.722 115.241 -6.519 1
1 1373 . 18 1 1 A 103 103 GLU H H 102 8.488 7.820 0.668 1
1 1374 . 18 1 1 A 103 103 GLU HA H 102 4.752 4.485 0.267 1
1 1379 . 18 1 1 A 103 103 GLU C C 102 176.653 176.418 0.235 1
1 1380 . 18 1 1 A 103 103 GLU CA C 102 55.464 57.314 -1.850 1
1 1381 . 18 1 1 A 103 103 GLU CB C 102 30.611 32.384 -1.773 1
1 1383 . 18 1 1 A 103 103 GLU N N 102 116.116 118.653 -2.537 1
1 1384 . 18 1 1 A 104 104 ARG H H 103 7.511 7.716 -0.205 1
1 1385 . 18 1 1 A 104 104 ARG HA H 103 4.241 4.129 0.112 1
1 1392 . 18 1 1 A 104 104 ARG C C 103 174.634 175.332 -0.698 1
1 1393 . 18 1 1 A 104 104 ARG CA C 103 56.926 56.167 0.759 1
1 1394 . 18 1 1 A 104 104 ARG CB C 103 29.713 29.904 -0.191 1
1 1397 . 18 1 1 A 104 104 ARG N N 103 117.180 118.508 -1.328 1
1 1398 . 18 1 1 A 105 105 ASP H H 104 9.069 8.681 0.388 1
1 1399 . 18 1 1 A 105 105 ASP HA H 104 4.774 5.019 -0.245 1
1 1402 . 18 1 1 A 105 105 ASP C C 104 177.460 177.190 0.270 1
1 1403 . 18 1 1 A 105 105 ASP CA C 104 53.852 52.376 1.476 1
1 1404 . 18 1 1 A 105 105 ASP CB C 104 43.424 43.547 -0.123 1
1 1405 . 18 1 1 A 105 105 ASP N N 104 123.349 123.668 -0.319 1
1 1406 . 18 1 1 A 106 106 GLU H H 105 8.982 8.886 0.096 1
1 1407 . 18 1 1 A 106 106 GLU HA H 105 4.199 4.029 0.170 1
1 1412 . 18 1 1 A 106 106 GLU C C 105 177.398 178.066 -0.668 1
1 1413 . 18 1 1 A 106 106 GLU CA C 105 59.413 60.063 -0.650 1
1 1414 . 18 1 1 A 106 106 GLU CB C 105 29.983 29.536 0.447 1
1 1416 . 18 1 1 A 106 106 GLU N N 105 125.197 121.714 3.483 1
1 1417 . 18 1 1 A 107 107 ASP H H 106 9.873 8.014 1.859 1
1 1418 . 18 1 1 A 107 107 ASP HA H 106 4.211 4.198 0.013 1
1 1421 . 18 1 1 A 107 107 ASP C C 106 175.775 176.593 -0.818 1
1 1422 . 18 1 1 A 107 107 ASP CA C 106 54.698 54.932 -0.234 1
1 1423 . 18 1 1 A 107 107 ASP CB C 106 40.187 41.639 -1.452 1
1 1424 . 18 1 1 A 107 107 ASP N N 106 118.717 116.706 2.011 1
1 1425 . 18 1 1 A 108 108 GLY H H 107 7.971 7.905 0.066 1
1 1426 . 18 1 1 A 108 108 GLY HA2 H 107 3.431 3.936 -0.505 1
1 1427 . 18 1 1 A 108 108 GLY HA3 H 107 4.526 3.976 0.550 1
1 1428 . 18 1 1 A 108 108 GLY C C 107 175.138 174.328 0.810 1
1 1429 . 18 1 1 A 108 108 GLY CA C 107 45.029 45.188 -0.159 1
1 1430 . 18 1 1 A 108 108 GLY N N 107 105.017 108.763 -3.746 1
1 1431 . 18 1 1 A 109 109 PHE H H 108 9.799 7.910 1.889 1
1 1432 . 18 1 1 A 109 109 PHE HA H 108 4.607 4.519 0.088 1
1 1440 . 18 1 1 A 109 109 PHE C C 108 175.171 175.279 -0.108 1
1 1441 . 18 1 1 A 109 109 PHE CA C 108 60.222 57.917 2.305 1
1 1442 . 18 1 1 A 109 109 PHE CB C 108 40.433 40.842 -0.409 1
1 1446 . 18 1 1 A 109 109 PHE N N 108 123.309 119.422 3.887 1
1 1447 . 18 1 1 A 110 110 LEU H H 109 8.061 9.063 -1.002 1
1 1448 . 18 1 1 A 110 110 LEU HA H 109 5.022 5.017 0.005 1
1 1458 . 18 1 1 A 110 110 LEU C C 109 174.033 175.452 -1.419 1
1 1459 . 18 1 1 A 110 110 LEU CA C 109 53.539 54.041 -0.502 1
1 1460 . 18 1 1 A 110 110 LEU CB C 109 45.284 43.612 1.672 1
1 1464 . 18 1 1 A 110 110 LEU N N 109 119.999 123.143 -3.144 1
1 1465 . 18 1 1 A 111 111 TYR H H 110 9.363 9.163 0.200 1
1 1466 . 18 1 1 A 111 111 TYR HA H 110 4.906 5.119 -0.213 1
1 1473 . 18 1 1 A 111 111 TYR C C 110 176.538 174.911 1.627 1
1 1474 . 18 1 1 A 111 111 TYR CA C 110 59.335 56.681 2.654 1
1 1475 . 18 1 1 A 111 111 TYR CB C 110 39.485 40.144 -0.659 1
1 1478 . 18 1 1 A 111 111 TYR N N 110 126.322 124.107 2.215 1
1 1479 . 18 1 1 A 112 112 MET H H 111 9.496 8.465 1.031 1
1 1480 . 18 1 1 A 112 112 MET HA H 111 5.522 5.191 0.331 1
1 1488 . 18 1 1 A 112 112 MET C C 111 175.676 174.349 1.327 1
1 1489 . 18 1 1 A 112 112 MET CA C 111 54.216 54.483 -0.267 1
1 1490 . 18 1 1 A 112 112 MET CB C 111 36.821 36.680 0.141 1
1 1493 . 18 1 1 A 112 112 MET N N 111 119.003 123.612 -4.609 1
1 1494 . 18 1 1 A 113 113 VAL H H 112 8.749 8.965 -0.216 1
1 1495 . 18 1 1 A 113 113 VAL HA H 112 5.967 4.710 1.257 1
1 1503 . 18 1 1 A 113 113 VAL C C 112 174.893 175.514 -0.621 1
1 1504 . 18 1 1 A 113 113 VAL CA C 112 58.896 61.200 -2.304 1
1 1505 . 18 1 1 A 113 113 VAL CB C 112 36.149 33.135 3.014 1
1 1508 . 18 1 1 A 113 113 VAL N N 112 119.658 123.741 -4.083 1
1 1509 . 18 1 1 A 114 114 TYR H H 113 8.210 8.754 -0.544 1
1 1510 . 18 1 1 A 114 114 TYR HA H 113 6.141 6.065 0.076 1
1 1517 . 18 1 1 A 114 114 TYR C C 113 173.353 173.887 -0.534 1
1 1518 . 18 1 1 A 114 114 TYR CA C 113 54.161 55.062 -0.901 1
1 1519 . 18 1 1 A 114 114 TYR CB C 113 43.538 42.237 1.301 1
1 1522 . 18 1 1 A 114 114 TYR N N 113 118.947 124.468 -5.521 1
1 1523 . 18 1 1 A 115 115 ALA H H 114 8.483 8.916 -0.433 1
1 1524 . 18 1 1 A 115 115 ALA HA H 114 4.762 4.768 -0.006 1
1 1528 . 18 1 1 A 115 115 ALA C C 114 176.033 176.872 -0.839 1
1 1529 . 18 1 1 A 115 115 ALA CA C 114 51.223 51.331 -0.108 1
1 1530 . 18 1 1 A 115 115 ALA CB C 114 24.521 22.827 1.694 1
1 1531 . 18 1 1 A 115 115 ALA N N 114 119.557 121.767 -2.210 1
1 1532 . 18 1 1 A 116 116 SER H H 115 9.835 8.267 1.568 1
1 1533 . 18 1 1 A 116 116 SER HA H 115 4.497 4.970 -0.473 1
1 1536 . 18 1 1 A 116 116 SER C C 115 172.664 173.546 -0.882 1
1 1537 . 18 1 1 A 116 116 SER CA C 115 58.669 58.022 0.647 1
1 1538 . 18 1 1 A 116 116 SER CB C 115 63.570 63.421 0.149 1
1 1539 . 18 1 1 A 116 116 SER N N 115 114.435 114.601 -0.166 1
1 1540 . 18 1 1 A 117 117 GLN H H 116 7.180 7.710 -0.530 1
1 1541 . 18 1 1 A 117 117 GLN HA H 116 4.460 5.039 -0.579 1
1 1548 . 18 1 1 A 117 117 GLN C C 116 172.901 175.609 -2.708 1
1 1549 . 18 1 1 A 117 117 GLN CA C 116 53.974 55.071 -1.097 1
1 1550 . 18 1 1 A 117 117 GLN CB C 116 32.192 32.045 0.147 1
1 1553 . 18 1 1 A 117 117 GLN N N 116 116.449 120.457 -4.008 1
1 1555 . 18 1 1 A 118 118 GLU H H 117 7.878 8.839 -0.961 1
1 1556 . 18 1 1 A 118 118 GLU HA H 117 3.259 4.519 -1.260 1
1 1561 . 18 1 1 A 118 118 GLU C C 117 175.233 176.975 -1.742 1
1 1562 . 18 1 1 A 118 118 GLU CA C 117 56.890 56.468 0.422 1
1 1563 . 18 1 1 A 118 118 GLU CB C 117 30.325 30.305 0.020 1
1 1565 . 18 1 1 A 118 118 GLU N N 117 117.687 125.016 -7.329 1
1 1566 . 18 1 1 A 119 119 THR H H 118 6.968 7.689 -0.721 1
1 1567 . 18 1 1 A 119 119 THR HA H 118 4.082 4.298 -0.216 1
1 1572 . 18 1 1 A 119 119 THR C C 118 173.134 175.142 -2.008 1
1 1573 . 18 1 1 A 119 119 THR CA C 118 60.123 60.747 -0.624 1
1 1574 . 18 1 1 A 119 119 THR CB C 118 70.147 68.721 1.426 1
1 1576 . 18 1 1 A 119 119 THR N N 118 109.548 107.428 2.120 1
1 1577 . 18 1 1 A 120 120 PHE H H 119 8.138 8.345 -0.207 1
1 1578 . 18 1 1 A 120 120 PHE HA H 119 4.436 4.257 0.179 1
1 1586 . 18 1 1 A 120 120 PHE C C 119 174.902 175.929 -1.027 1
1 1587 . 18 1 1 A 120 120 PHE CA C 119 56.750 60.237 -3.487 1
1 1588 . 18 1 1 A 120 120 PHE CB C 119 39.411 38.230 1.181 1
1 1592 . 18 1 1 A 120 120 PHE N N 119 121.777 122.428 -0.651 1
1 1607 . 18 2 2 B 2 2 SER H H 332 8.471 8.204 0.267 1
1 1608 . 18 2 2 B 2 2 SER HA H 332 4.484 4.644 -0.160 1
1 1611 . 18 2 2 B 2 2 SER C C 332 174.962 175.017 -0.055 1
1 1612 . 18 2 2 B 2 2 SER CA C 332 88.436 57.089 31.347 1
1 1613 . 18 2 2 B 2 2 SER CB C 332 93.927 65.396 28.531 1
1 1614 . 18 2 2 B 2 2 SER N N 332 147.261 118.309 28.952 1
1 1615 . 18 2 2 B 3 3 GLY H H 333 8.601 8.914 -0.313 1
1 1616 . 18 2 2 B 3 3 GLY HA2 H 333 4.022 3.880 0.142 1
1 1617 . 18 2 2 B 3 3 GLY HA3 H 333 4.022 3.886 0.136 1
1 1618 . 18 2 2 B 3 3 GLY C C 333 174.774 174.075 0.699 1
1 1619 . 18 2 2 B 3 3 GLY CA C 333 75.465 46.488 28.977 1
1 1620 . 18 2 2 B 3 3 GLY N N 333 141.077 109.400 31.677 1
1 1621 . 18 2 2 B 4 4 GLY H H 334 8.372 7.262 1.110 1
1 1622 . 18 2 2 B 4 4 GLY HA2 H 334 3.980 4.116 -0.136 1
1 1623 . 18 2 2 B 4 4 GLY HA3 H 334 3.980 4.120 -0.140 1
1 1624 . 18 2 2 B 4 4 GLY C C 334 174.758 173.078 1.680 1
1 1625 . 18 2 2 B 4 4 GLY CA C 334 75.674 45.091 30.583 1
1 1626 . 18 2 2 B 4 4 GLY N N 334 138.894 106.525 32.369 1
1 1627 . 18 2 2 B 5 5 ASP H H 335 8.429 8.806 -0.377 1
1 1628 . 18 2 2 B 5 5 ASP HA H 335 4.610 4.703 -0.093 1
1 1631 . 18 2 2 B 5 5 ASP CA C 335 85.066 53.805 31.261 1
1 1632 . 18 2 2 B 5 5 ASP CB C 335 71.191 39.765 31.426 1
1 1633 . 18 2 2 B 5 5 ASP N N 335 149.637 125.028 24.609 1
1 1634 . 18 2 2 B 6 6 ASP H H 336 8.244 8.886 -0.642 1
1 1635 . 18 2 2 B 6 6 ASP HA H 336 4.559 4.792 -0.233 1
1 1638 . 18 2 2 B 6 6 ASP C C 336 175.432 175.569 -0.137 1
1 1639 . 18 2 2 B 6 6 ASP CA C 336 84.708 55.976 28.732 1
1 1640 . 18 2 2 B 6 6 ASP CB C 336 71.552 41.674 29.878 1
1 1641 . 18 2 2 B 6 6 ASP N N 336 148.885 121.535 27.350 1
1 1642 . 18 2 2 B 7 7 ASP H H 337 7.803 7.998 -0.195 1
1 1643 . 18 2 2 B 7 7 ASP HA H 337 4.655 4.997 -0.342 1
1 1646 . 18 2 2 B 7 7 ASP C C 337 175.362 175.523 -0.161 1
1 1647 . 18 2 2 B 7 7 ASP CA C 337 83.670 52.391 31.279 1
1 1648 . 18 2 2 B 7 7 ASP CB C 337 71.933 42.623 29.310 1
1 1649 . 18 2 2 B 7 7 ASP N N 337 149.563 114.795 34.768 1
1 1650 . 18 2 2 B 8 8 TRP H H 338 8.472 8.513 -0.041 1
1 1651 . 18 2 2 B 8 8 TRP HA H 338 4.174 4.849 -0.675 1
1 1660 . 18 2 2 B 8 8 TRP C C 338 175.959 176.314 -0.355 1
1 1661 . 18 2 2 B 8 8 TRP CA C 338 87.020 57.273 29.747 1
1 1662 . 18 2 2 B 8 8 TRP CB C 338 61.223 30.139 31.084 1
1 1668 . 18 2 2 B 8 8 TRP N N 338 150.172 125.654 24.518 1
1 1670 . 18 2 2 B 9 9 THR H H 339 7.994 8.858 -0.864 1
1 1671 . 18 2 2 B 9 9 THR HA H 339 4.533 4.505 0.028 1
1 1676 . 18 2 2 B 9 9 THR C C 339 174.035 173.852 0.183 1
1 1677 . 18 2 2 B 9 9 THR CA C 339 92.659 61.285 31.374 1
1 1678 . 18 2 2 B 9 9 THR CB C 339 99.436 71.059 28.377 1
1 1680 . 18 2 2 B 9 9 THR N N 339 149.503 114.969 34.534 1
1 1681 . 18 2 2 B 10 10 HIS H H 340 9.463 8.093 1.370 1
1 1682 . 18 2 2 B 10 10 HIS HA H 340 4.677 5.588 -0.911 1
1 1687 . 18 2 2 B 10 10 HIS C C 340 175.606 174.037 1.569 1
1 1688 . 18 2 2 B 10 10 HIS CA C 340 87.024 53.769 33.255 1
1 1689 . 18 2 2 B 10 10 HIS CB C 340 61.368 31.994 29.374 1
1 1692 . 18 2 2 B 10 10 HIS N N 340 159.135 118.721 40.414 1
1 1693 . 18 2 2 B 11 11 LEU H H 341 8.398 9.257 -0.859 1
1 1694 . 18 2 2 B 11 11 LEU HA H 341 4.848 4.981 -0.133 1
1 1704 . 18 2 2 B 11 11 LEU C C 341 175.919 175.528 0.391 1
1 1705 . 18 2 2 B 11 11 LEU CA C 341 83.684 53.749 29.935 1
1 1706 . 18 2 2 B 11 11 LEU CB C 341 73.601 42.352 31.249 1
1 1710 . 18 2 2 B 11 11 LEU N N 341 153.300 125.137 28.163 1
1 1711 . 18 2 2 B 12 12 SER H H 342 8.382 9.006 -0.624 1
1 1712 . 18 2 2 B 12 12 SER HA H 342 4.652 5.155 -0.503 1
1 1715 . 18 2 2 B 12 12 SER C C 342 174.263 174.643 -0.380 1
1 1716 . 18 2 2 B 12 12 SER CA C 342 86.841 57.600 29.241 1
1 1717 . 18 2 2 B 12 12 SER CB C 342 95.113 64.725 30.388 1
1 1718 . 18 2 2 B 12 12 SER N N 342 144.018 123.225 20.793 1
1 1719 . 18 2 2 B 13 13 SER H H 343 8.937 9.028 -0.091 1
1 1720 . 18 2 2 B 13 13 SER HA H 343 4.291 4.606 -0.315 1
1 1723 . 18 2 2 B 13 13 SER C C 343 174.652 174.825 -0.173 1
1 1724 . 18 2 2 B 13 13 SER CA C 343 89.546 58.302 31.244 1
1 1725 . 18 2 2 B 13 13 SER CB C 343 93.470 63.339 30.131 1
1 1726 . 18 2 2 B 13 13 SER N N 343 148.575 120.395 28.180 1
1 1727 . 18 2 2 B 14 14 LYS H H 344 8.250 8.171 0.079 1
1 1728 . 18 2 2 B 14 14 LYS HA H 344 4.319 4.384 -0.065 1
1 1737 . 18 2 2 B 14 14 LYS C C 344 176.699 177.546 -0.847 1
1 1738 . 18 2 2 B 14 14 LYS CA C 344 86.716 57.796 28.920 1
1 1739 . 18 2 2 B 14 14 LYS CB C 344 62.831 33.572 29.259 1
1 1743 . 18 2 2 B 14 14 LYS N N 344 151.908 118.121 33.787 1
1 1744 . 18 2 2 B 15 15 GLU H H 345 8.256 7.698 0.558 1
1 1745 . 18 2 2 B 15 15 GLU HA H 345 4.240 4.429 -0.189 1
1 1750 . 18 2 2 B 15 15 GLU C C 345 176.152 176.088 0.064 1
1 1751 . 18 2 2 B 15 15 GLU CA C 345 87.152 56.249 30.903 1
1 1752 . 18 2 2 B 15 15 GLU CB C 345 60.176 30.545 29.631 1
1 1754 . 18 2 2 B 15 15 GLU N N 345 150.679 118.003 32.676 1
1 1755 . 18 2 2 B 16 16 VAL H H 346 7.762 7.324 0.438 1
1 1756 . 18 2 2 B 16 16 VAL HA H 346 4.161 4.118 0.043 1
1 1764 . 18 2 2 B 16 16 VAL C C 346 174.646 175.770 -1.124 1
1 1765 . 18 2 2 B 16 16 VAL CA C 346 91.707 61.344 30.363 1
1 1766 . 18 2 2 B 16 16 VAL CB C 346 63.107 33.561 29.546 1
1 1769 . 18 2 2 B 16 16 VAL N N 346 146.718 117.651 29.067 1
1 9 . 19 1 1 A 2 2 MET H H 1 8.414 7.680 0.734 1
1 10 . 19 1 1 A 2 2 MET HA H 1 4.826 4.968 -0.142 1
1 18 . 19 1 1 A 2 2 MET CA C 1 53.382 53.167 0.215 1
1 19 . 19 1 1 A 2 2 MET CB C 1 32.478 34.333 -1.855 1
1 22 . 19 1 1 A 2 2 MET N N 1 122.882 120.139 2.743 1
1 23 . 19 1 1 A 3 3 PRO HA H 2 4.425 4.379 0.046 1
1 30 . 19 1 1 A 3 3 PRO C C 2 176.847 177.005 -0.158 1
1 31 . 19 1 1 A 3 3 PRO CA C 2 63.386 66.072 -2.686 1
1 32 . 19 1 1 A 3 3 PRO CB C 2 32.077 31.422 0.655 1
1 35 . 19 1 1 A 4 4 SER H H 3 8.347 7.806 0.541 1
1 36 . 19 1 1 A 4 4 SER HA H 3 4.391 4.356 0.035 1
1 39 . 19 1 1 A 4 4 SER C C 3 174.643 173.880 0.763 1
1 40 . 19 1 1 A 4 4 SER CA C 3 58.336 57.479 0.857 1
1 41 . 19 1 1 A 4 4 SER CB C 3 63.798 63.443 0.355 1
1 42 . 19 1 1 A 4 4 SER N N 3 115.234 111.197 4.037 1
1 43 . 19 1 1 A 5 5 GLU H H 4 8.472 8.775 -0.303 1
1 44 . 19 1 1 A 5 5 GLU HA H 4 4.297 5.041 -0.744 1
1 49 . 19 1 1 A 5 5 GLU C C 4 176.352 175.908 0.444 1
1 50 . 19 1 1 A 5 5 GLU CA C 4 56.572 54.435 2.137 1
1 51 . 19 1 1 A 5 5 GLU CB C 4 30.285 32.820 -2.535 1
1 53 . 19 1 1 A 5 5 GLU N N 4 123.045 125.266 -2.221 1
1 54 . 19 1 1 A 6 6 LYS H H 5 8.214 8.405 -0.191 1
1 55 . 19 1 1 A 6 6 LYS HA H 5 4.500 4.276 0.224 1
1 64 . 19 1 1 A 6 6 LYS C C 5 177.243 176.316 0.927 1
1 65 . 19 1 1 A 6 6 LYS CA C 5 55.943 56.559 -0.616 1
1 66 . 19 1 1 A 6 6 LYS CB C 5 34.621 33.534 1.087 1
1 70 . 19 1 1 A 6 6 LYS N N 5 121.467 126.679 -5.212 1
1 71 . 19 1 1 A 7 7 THR H H 6 8.431 8.329 0.102 1
1 72 . 19 1 1 A 7 7 THR HA H 6 4.383 4.944 -0.561 1
1 77 . 19 1 1 A 7 7 THR C C 6 175.360 176.237 -0.877 1
1 78 . 19 1 1 A 7 7 THR CA C 6 61.124 59.483 1.641 1
1 79 . 19 1 1 A 7 7 THR CB C 6 69.863 72.043 -2.180 1
1 81 . 19 1 1 A 7 7 THR N N 6 114.691 112.024 2.667 1
1 82 . 19 1 1 A 8 8 PHE H H 7 10.194 9.403 0.791 1
1 83 . 19 1 1 A 8 8 PHE HA H 7 3.904 4.154 -0.250 1
1 88 . 19 1 1 A 8 8 PHE C C 7 177.000 177.838 -0.838 1
1 89 . 19 1 1 A 8 8 PHE CA C 7 63.388 61.221 2.167 1
1 90 . 19 1 1 A 8 8 PHE CB C 7 39.586 38.853 0.733 1
1 92 . 19 1 1 A 8 8 PHE N N 7 124.861 122.829 2.032 1
1 93 . 19 1 1 A 9 9 LYS H H 8 8.707 8.150 0.557 1
1 94 . 19 1 1 A 9 9 LYS HA H 8 3.761 3.955 -0.194 1
1 103 . 19 1 1 A 9 9 LYS C C 8 177.496 178.796 -1.300 1
1 104 . 19 1 1 A 9 9 LYS CA C 8 59.945 58.930 1.015 1
1 105 . 19 1 1 A 9 9 LYS CB C 8 33.870 31.912 1.958 1
1 109 . 19 1 1 A 9 9 LYS N N 8 114.189 117.710 -3.521 1
1 110 . 19 1 1 A 10 10 GLN H H 9 7.284 8.170 -0.886 1
1 111 . 19 1 1 A 10 10 GLN HA H 9 4.113 4.108 0.005 1
1 118 . 19 1 1 A 10 10 GLN C C 9 177.416 178.133 -0.717 1
1 119 . 19 1 1 A 10 10 GLN CA C 9 56.743 58.246 -1.503 1
1 120 . 19 1 1 A 10 10 GLN CB C 9 30.002 28.876 1.126 1
1 123 . 19 1 1 A 10 10 GLN N N 9 112.843 119.021 -6.178 1
1 125 . 19 1 1 A 11 11 ARG H H 10 7.889 8.429 -0.540 1
1 126 . 19 1 1 A 11 11 ARG HA H 10 4.255 3.967 0.288 1
1 133 . 19 1 1 A 11 11 ARG C C 10 175.059 176.708 -1.649 1
1 134 . 19 1 1 A 11 11 ARG CA C 10 57.018 59.482 -2.464 1
1 135 . 19 1 1 A 11 11 ARG CB C 10 31.628 30.309 1.319 1
1 138 . 19 1 1 A 11 11 ARG N N 10 117.567 120.654 -3.087 1
1 139 . 19 1 1 A 12 12 ARG H H 11 7.443 7.774 -0.331 1
1 140 . 19 1 1 A 12 12 ARG HA H 11 4.493 4.143 0.350 1
1 147 . 19 1 1 A 12 12 ARG CA C 11 54.172 57.258 -3.086 1
1 148 . 19 1 1 A 12 12 ARG CB C 11 32.857 30.688 2.169 1
1 151 . 19 1 1 A 12 12 ARG N N 11 122.786 120.218 2.568 1
1 152 . 19 1 1 A 13 13 SER HA H 12 4.403 4.493 -0.090 1
1 155 . 19 1 1 A 13 13 SER C C 12 174.222 175.412 -1.190 1
1 156 . 19 1 1 A 13 13 SER CA C 12 58.274 60.276 -2.002 1
1 157 . 19 1 1 A 13 13 SER CB C 12 64.821 63.639 1.182 1
1 158 . 19 1 1 A 14 14 PHE H H 13 9.239 9.235 0.004 1
1 159 . 19 1 1 A 14 14 PHE HA H 13 4.035 4.077 -0.042 1
1 165 . 19 1 1 A 14 14 PHE C C 13 176.023 177.002 -0.979 1
1 166 . 19 1 1 A 14 14 PHE CA C 13 62.790 62.790 0.000 1
1 167 . 19 1 1 A 14 14 PHE CB C 13 39.580 39.906 -0.326 1
1 169 . 19 1 1 A 14 14 PHE N N 13 123.729 125.908 -2.179 1
1 170 . 19 1 1 A 15 15 GLU H H 14 9.093 8.537 0.556 1
1 171 . 19 1 1 A 15 15 GLU HA H 14 3.813 3.932 -0.119 1
1 176 . 19 1 1 A 15 15 GLU C C 14 179.549 178.723 0.826 1
1 177 . 19 1 1 A 15 15 GLU CA C 14 60.444 60.110 0.334 1
1 178 . 19 1 1 A 15 15 GLU CB C 14 28.804 29.204 -0.400 1
1 180 . 19 1 1 A 15 15 GLU N N 14 115.336 117.642 -2.306 1
1 181 . 19 1 1 A 16 16 GLN H H 15 7.752 8.248 -0.496 1
1 182 . 19 1 1 A 16 16 GLN HA H 15 4.044 4.231 -0.187 1
1 189 . 19 1 1 A 16 16 GLN C C 15 177.931 177.662 0.269 1
1 190 . 19 1 1 A 16 16 GLN CA C 15 58.486 57.905 0.581 1
1 191 . 19 1 1 A 16 16 GLN CB C 15 29.393 28.714 0.679 1
1 194 . 19 1 1 A 16 16 GLN N N 15 119.145 118.614 0.531 1
1 196 . 19 1 1 A 17 17 ARG H H 16 8.577 8.319 0.258 1
1 197 . 19 1 1 A 17 17 ARG HA H 16 4.280 4.387 -0.107 1
1 202 . 19 1 1 A 17 17 ARG C C 16 177.128 178.431 -1.303 1
1 203 . 19 1 1 A 17 17 ARG CA C 16 61.442 57.639 3.803 1
1 204 . 19 1 1 A 17 17 ARG N N 16 121.288 118.737 2.551 1
1 205 . 19 1 1 A 18 18 VAL H H 17 8.329 8.134 0.195 1
1 206 . 19 1 1 A 18 18 VAL HA H 17 3.938 3.771 0.167 1
1 214 . 19 1 1 A 18 18 VAL C C 17 179.744 177.965 1.779 1
1 215 . 19 1 1 A 18 18 VAL CA C 17 65.441 65.079 0.362 1
1 216 . 19 1 1 A 18 18 VAL CB C 17 32.080 31.405 0.675 1
1 219 . 19 1 1 A 18 18 VAL N N 17 116.752 117.123 -0.371 1
1 220 . 19 1 1 A 19 19 GLU H H 18 7.445 8.081 -0.636 1
1 221 . 19 1 1 A 19 19 GLU HA H 18 4.270 4.021 0.249 1
1 226 . 19 1 1 A 19 19 GLU C C 18 177.625 178.236 -0.611 1
1 227 . 19 1 1 A 19 19 GLU CA C 18 58.637 58.861 -0.224 1
1 228 . 19 1 1 A 19 19 GLU CB C 18 29.398 29.372 0.026 1
1 230 . 19 1 1 A 19 19 GLU N N 18 120.323 121.809 -1.486 1
1 231 . 19 1 1 A 20 20 ASP H H 19 8.690 8.285 0.405 1
1 232 . 19 1 1 A 20 20 ASP HA H 19 4.514 4.406 0.108 1
1 235 . 19 1 1 A 20 20 ASP C C 19 179.877 177.941 1.936 1
1 236 . 19 1 1 A 20 20 ASP CA C 19 57.224 57.765 -0.541 1
1 237 . 19 1 1 A 20 20 ASP CB C 19 41.487 41.437 0.050 1
1 238 . 19 1 1 A 20 20 ASP N N 19 120.313 120.585 -0.272 1
1 239 . 19 1 1 A 21 21 VAL H H 20 7.731 8.021 -0.290 1
1 240 . 19 1 1 A 21 21 VAL HA H 20 3.394 3.150 0.244 1
1 248 . 19 1 1 A 21 21 VAL C C 20 176.989 178.068 -1.079 1
1 249 . 19 1 1 A 21 21 VAL CA C 20 65.989 65.268 0.721 1
1 250 . 19 1 1 A 21 21 VAL CB C 20 31.291 30.951 0.340 1
1 253 . 19 1 1 A 21 21 VAL N N 20 119.119 118.557 0.562 1
1 254 . 19 1 1 A 22 22 ARG H H 21 8.313 7.869 0.444 1
1 255 . 19 1 1 A 22 22 ARG HA H 21 3.825 3.936 -0.111 1
1 263 . 19 1 1 A 22 22 ARG C C 21 180.178 178.343 1.835 1
1 264 . 19 1 1 A 22 22 ARG CA C 21 59.821 59.105 0.716 1
1 265 . 19 1 1 A 22 22 ARG CB C 21 30.164 30.218 -0.054 1
1 269 . 19 1 1 A 22 22 ARG N N 21 120.772 121.612 -0.840 1
1 271 . 19 1 1 A 23 23 LEU H H 22 8.306 8.305 0.001 1
1 272 . 19 1 1 A 23 23 LEU HA H 22 4.076 3.936 0.140 1
1 282 . 19 1 1 A 23 23 LEU C C 22 180.221 179.056 1.165 1
1 283 . 19 1 1 A 23 23 LEU CA C 22 57.541 58.162 -0.621 1
1 284 . 19 1 1 A 23 23 LEU CB C 22 42.300 41.567 0.733 1
1 288 . 19 1 1 A 23 23 LEU N N 22 116.413 119.509 -3.096 1
1 289 . 19 1 1 A 24 24 ILE H H 23 7.864 8.150 -0.286 1
1 290 . 19 1 1 A 24 24 ILE HA H 23 4.090 3.786 0.304 1
1 300 . 19 1 1 A 24 24 ILE C C 23 177.922 178.201 -0.279 1
1 301 . 19 1 1 A 24 24 ILE CA C 23 60.190 64.562 -4.372 1
1 302 . 19 1 1 A 24 24 ILE CB C 23 38.072 37.462 0.610 1
1 306 . 19 1 1 A 24 24 ILE N N 23 121.259 117.925 3.334 1
1 307 . 19 1 1 A 25 25 ARG H H 24 8.339 8.345 -0.006 1
1 308 . 19 1 1 A 25 25 ARG HA H 24 3.973 4.023 -0.050 1
1 316 . 19 1 1 A 25 25 ARG C C 24 178.479 177.990 0.489 1
1 317 . 19 1 1 A 25 25 ARG CA C 24 57.337 59.053 -1.716 1
1 318 . 19 1 1 A 25 25 ARG CB C 24 28.663 29.901 -1.238 1
1 322 . 19 1 1 A 25 25 ARG N N 24 121.816 121.172 0.644 1
1 324 . 19 1 1 A 26 26 GLU H H 25 7.133 8.548 -1.415 1
1 325 . 19 1 1 A 26 26 GLU HA H 25 4.052 4.317 -0.265 1
1 330 . 19 1 1 A 26 26 GLU C C 25 178.158 177.841 0.317 1
1 331 . 19 1 1 A 26 26 GLU CA C 25 58.367 57.753 0.614 1
1 332 . 19 1 1 A 26 26 GLU CB C 25 29.903 30.343 -0.440 1
1 334 . 19 1 1 A 26 26 GLU N N 25 116.794 117.333 -0.539 1
1 335 . 19 1 1 A 27 27 GLN H H 26 7.283 8.228 -0.945 1
1 336 . 19 1 1 A 27 27 GLN HA H 26 3.888 4.380 -0.492 1
1 343 . 19 1 1 A 27 27 GLN C C 26 176.088 175.985 0.103 1
1 344 . 19 1 1 A 27 27 GLN CA C 26 57.676 57.528 0.148 1
1 345 . 19 1 1 A 27 27 GLN CB C 26 30.382 30.147 0.235 1
1 348 . 19 1 1 A 27 27 GLN N N 26 116.373 118.202 -1.829 1
1 350 . 19 1 1 A 28 28 HIS H H 27 8.223 8.619 -0.396 1
1 351 . 19 1 1 A 28 28 HIS HA H 27 4.941 5.059 -0.118 1
1 356 . 19 1 1 A 28 28 HIS CA C 27 53.278 53.154 0.124 1
1 357 . 19 1 1 A 28 28 HIS CB C 27 30.933 29.833 1.100 1
1 360 . 19 1 1 A 28 28 HIS N N 27 115.408 116.304 -0.896 1
1 361 . 19 1 1 A 29 29 PRO HA H 28 4.562 4.364 0.198 1
1 368 . 19 1 1 A 29 29 PRO C C 28 178.046 177.555 0.491 1
1 369 . 19 1 1 A 29 29 PRO CA C 28 64.821 64.515 0.306 1
1 370 . 19 1 1 A 29 29 PRO CB C 28 32.447 31.982 0.465 1
1 373 . 19 1 1 A 30 30 THR H H 29 7.820 7.792 0.028 1
1 374 . 19 1 1 A 30 30 THR HA H 29 4.583 4.357 0.226 1
1 379 . 19 1 1 A 30 30 THR C C 29 172.723 173.352 -0.629 1
1 380 . 19 1 1 A 30 30 THR CA C 29 60.826 61.497 -0.671 1
1 381 . 19 1 1 A 30 30 THR CB C 29 68.641 68.975 -0.334 1
1 383 . 19 1 1 A 30 30 THR N N 29 106.682 107.708 -1.026 1
1 384 . 19 1 1 A 31 31 LYS H H 30 7.453 7.496 -0.043 1
1 385 . 19 1 1 A 31 31 LYS HA H 30 4.850 4.771 0.079 1
1 394 . 19 1 1 A 31 31 LYS C C 30 174.296 174.763 -0.467 1
1 395 . 19 1 1 A 31 31 LYS CA C 30 53.944 54.649 -0.705 1
1 396 . 19 1 1 A 31 31 LYS CB C 30 36.098 37.199 -1.101 1
1 400 . 19 1 1 A 31 31 LYS N N 30 117.809 120.486 -2.677 1
1 401 . 19 1 1 A 32 32 ILE H H 31 9.265 9.450 -0.185 1
1 402 . 19 1 1 A 32 32 ILE HA H 31 4.106 4.224 -0.118 1
1 412 . 19 1 1 A 32 32 ILE CA C 31 54.606 57.716 -3.110 1
1 413 . 19 1 1 A 32 32 ILE CB C 31 38.448 38.454 -0.006 1
1 417 . 19 1 1 A 32 32 ILE N N 31 122.497 122.456 0.041 1
1 418 . 19 1 1 A 33 33 PRO HA H 32 5.252 4.884 0.368 1
1 425 . 19 1 1 A 33 33 PRO C C 32 174.652 176.758 -2.106 1
1 426 . 19 1 1 A 33 33 PRO CA C 32 61.704 62.548 -0.844 1
1 427 . 19 1 1 A 33 33 PRO CB C 32 31.873 31.694 0.179 1
1 430 . 19 1 1 A 34 34 VAL H H 33 9.359 8.359 1.000 1
1 431 . 19 1 1 A 34 34 VAL HA H 33 5.298 5.156 0.142 1
1 439 . 19 1 1 A 34 34 VAL C C 33 173.633 174.825 -1.192 1
1 440 . 19 1 1 A 34 34 VAL CA C 33 59.830 59.392 0.438 1
1 441 . 19 1 1 A 34 34 VAL CB C 33 36.154 36.103 0.051 1
1 444 . 19 1 1 A 34 34 VAL N N 33 124.496 116.619 7.877 1
1 445 . 19 1 1 A 35 35 ILE H H 34 8.667 9.110 -0.443 1
1 446 . 19 1 1 A 35 35 ILE HA H 34 4.867 4.808 0.059 1
1 456 . 19 1 1 A 35 35 ILE C C 34 175.770 174.817 0.953 1
1 457 . 19 1 1 A 35 35 ILE CA C 34 56.320 60.386 -4.066 1
1 458 . 19 1 1 A 35 35 ILE CB C 34 36.909 39.491 -2.582 1
1 462 . 19 1 1 A 35 35 ILE N N 34 127.447 121.871 5.576 1
1 463 . 19 1 1 A 36 36 ILE H H 35 8.422 9.415 -0.993 1
1 464 . 19 1 1 A 36 36 ILE HA H 35 4.890 5.057 -0.167 1
1 474 . 19 1 1 A 36 36 ILE C C 35 175.098 175.723 -0.625 1
1 475 . 19 1 1 A 36 36 ILE CA C 35 60.806 60.670 0.136 1
1 476 . 19 1 1 A 36 36 ILE CB C 35 39.357 38.584 0.773 1
1 480 . 19 1 1 A 36 36 ILE N N 35 124.267 128.815 -4.548 1
1 481 . 19 1 1 A 37 37 GLU H H 36 8.335 8.897 -0.562 1
1 482 . 19 1 1 A 37 37 GLU HA H 36 4.820 4.987 -0.167 1
1 487 . 19 1 1 A 37 37 GLU C C 36 173.502 175.736 -2.234 1
1 488 . 19 1 1 A 37 37 GLU CA C 36 54.214 54.276 -0.062 1
1 489 . 19 1 1 A 37 37 GLU CB C 36 35.547 33.404 2.143 1
1 491 . 19 1 1 A 37 37 GLU N N 36 123.296 126.383 -3.087 1
1 492 . 19 1 1 A 38 38 ARG H H 37 8.891 8.184 0.707 1
1 493 . 19 1 1 A 38 38 ARG HA H 37 2.755 3.893 -1.138 1
1 501 . 19 1 1 A 38 38 ARG C C 37 176.165 175.236 0.929 1
1 502 . 19 1 1 A 38 38 ARG CA C 37 56.235 56.044 0.191 1
1 503 . 19 1 1 A 38 38 ARG CB C 37 31.328 30.442 0.886 1
1 507 . 19 1 1 A 38 38 ARG N N 37 123.143 121.133 2.010 1
1 509 . 19 1 1 A 39 39 TYR H H 38 8.681 7.954 0.727 1
1 510 . 19 1 1 A 39 39 TYR HA H 38 4.331 4.473 -0.142 1
1 517 . 19 1 1 A 39 39 TYR C C 38 177.064 175.579 1.485 1
1 518 . 19 1 1 A 39 39 TYR CA C 38 57.769 58.945 -1.176 1
1 519 . 19 1 1 A 39 39 TYR CB C 38 39.552 39.086 0.466 1
1 522 . 19 1 1 A 39 39 TYR N N 38 128.699 122.946 5.753 1
1 523 . 19 1 1 A 40 40 LYS H H 39 8.454 8.063 0.391 1
1 524 . 19 1 1 A 40 40 LYS HA H 39 3.841 3.895 -0.054 1
1 533 . 19 1 1 A 40 40 LYS C C 39 176.290 177.224 -0.934 1
1 534 . 19 1 1 A 40 40 LYS CA C 39 58.772 57.501 1.271 1
1 535 . 19 1 1 A 40 40 LYS CB C 39 31.738 31.221 0.517 1
1 539 . 19 1 1 A 40 40 LYS N N 39 130.022 125.677 4.345 1
1 540 . 19 1 1 A 41 41 GLY H H 40 5.457 8.508 -3.051 1
1 541 . 19 1 1 A 41 41 GLY HA2 H 40 3.306 4.011 -0.705 1
1 542 . 19 1 1 A 41 41 GLY HA3 H 40 3.999 4.082 -0.083 1
1 543 . 19 1 1 A 41 41 GLY C C 40 173.426 173.967 -0.541 1
1 544 . 19 1 1 A 41 41 GLY CA C 40 44.673 45.279 -0.606 1
1 545 . 19 1 1 A 41 41 GLY N N 40 104.628 113.015 -8.387 1
1 546 . 19 1 1 A 42 42 GLU H H 41 7.440 7.821 -0.381 1
1 547 . 19 1 1 A 42 42 GLU HA H 41 4.278 4.553 -0.275 1
1 552 . 19 1 1 A 42 42 GLU C C 41 176.306 176.497 -0.191 1
1 553 . 19 1 1 A 42 42 GLU CA C 41 56.358 55.117 1.241 1
1 554 . 19 1 1 A 42 42 GLU CB C 41 31.014 30.660 0.354 1
1 556 . 19 1 1 A 42 42 GLU N N 41 122.648 120.596 2.052 1
1 557 . 19 1 1 A 43 43 LYS H H 42 8.912 8.379 0.533 1
1 558 . 19 1 1 A 43 43 LYS HA H 42 4.680 4.563 0.117 1
1 567 . 19 1 1 A 43 43 LYS C C 42 177.063 178.248 -1.185 1
1 568 . 19 1 1 A 43 43 LYS CA C 42 55.652 56.899 -1.247 1
1 569 . 19 1 1 A 43 43 LYS CB C 42 34.871 34.109 0.762 1
1 573 . 19 1 1 A 43 43 LYS N N 42 123.569 123.218 0.351 1
1 574 . 19 1 1 A 44 44 GLN H H 43 8.446 8.048 0.398 1
1 575 . 19 1 1 A 44 44 GLN HA H 43 4.545 4.032 0.513 1
1 582 . 19 1 1 A 44 44 GLN C C 43 177.152 177.063 0.089 1
1 583 . 19 1 1 A 44 44 GLN CA C 43 57.561 59.094 -1.533 1
1 584 . 19 1 1 A 44 44 GLN CB C 43 30.671 28.540 2.131 1
1 587 . 19 1 1 A 44 44 GLN N N 43 118.990 118.468 0.522 1
1 589 . 19 1 1 A 45 45 LEU H H 44 9.043 8.060 0.983 1
1 590 . 19 1 1 A 45 45 LEU HA H 44 4.716 4.529 0.187 1
1 600 . 19 1 1 A 45 45 LEU CA C 44 53.078 53.883 -0.805 1
1 601 . 19 1 1 A 45 45 LEU CB C 44 43.614 41.180 2.434 1
1 605 . 19 1 1 A 45 45 LEU N N 44 120.375 120.190 0.185 1
1 606 . 19 1 1 A 46 46 PRO HA H 45 4.723 4.666 0.057 1
1 613 . 19 1 1 A 46 46 PRO C C 45 175.883 176.320 -0.437 1
1 614 . 19 1 1 A 46 46 PRO CA C 45 62.005 62.272 -0.267 1
1 615 . 19 1 1 A 46 46 PRO CB C 45 32.609 32.385 0.224 1
1 618 . 19 1 1 A 47 47 VAL H H 46 8.437 8.514 -0.077 1
1 619 . 19 1 1 A 47 47 VAL HA H 46 3.914 4.356 -0.442 1
1 627 . 19 1 1 A 47 47 VAL C C 46 175.367 176.072 -0.705 1
1 628 . 19 1 1 A 47 47 VAL CA C 46 62.700 62.493 0.207 1
1 629 . 19 1 1 A 47 47 VAL CB C 46 32.927 32.126 0.801 1
1 632 . 19 1 1 A 47 47 VAL N N 46 118.440 121.237 -2.797 1
1 633 . 19 1 1 A 48 48 LEU H H 47 7.863 8.567 -0.704 1
1 634 . 19 1 1 A 48 48 LEU HA H 47 4.384 4.289 0.095 1
1 644 . 19 1 1 A 48 48 LEU C C 47 176.088 177.979 -1.891 1
1 645 . 19 1 1 A 48 48 LEU CA C 47 54.851 55.016 -0.165 1
1 646 . 19 1 1 A 48 48 LEU CB C 47 43.841 43.550 0.291 1
1 650 . 19 1 1 A 48 48 LEU N N 47 129.127 128.427 0.700 1
1 651 . 19 1 1 A 49 49 ASP H H 48 8.699 8.840 -0.141 1
1 652 . 19 1 1 A 49 49 ASP HA H 48 4.293 4.455 -0.162 1
1 655 . 19 1 1 A 49 49 ASP C C 48 175.121 176.010 -0.889 1
1 656 . 19 1 1 A 49 49 ASP CA C 48 55.717 56.638 -0.921 1
1 657 . 19 1 1 A 49 49 ASP CB C 48 40.260 41.005 -0.745 1
1 658 . 19 1 1 A 49 49 ASP N N 48 121.389 124.860 -3.471 1
1 659 . 19 1 1 A 50 50 LYS H H 49 7.251 7.410 -0.159 1
1 660 . 19 1 1 A 50 50 LYS HA H 49 4.540 4.586 -0.046 1
1 669 . 19 1 1 A 50 50 LYS C C 49 174.664 175.334 -0.670 1
1 670 . 19 1 1 A 50 50 LYS CA C 49 53.211 54.312 -1.101 1
1 671 . 19 1 1 A 50 50 LYS CB C 49 35.514 34.315 1.199 1
1 675 . 19 1 1 A 50 50 LYS N N 49 118.260 113.577 4.683 1
1 676 . 19 1 1 A 51 51 THR H H 50 8.162 8.110 0.052 1
1 677 . 19 1 1 A 51 51 THR HA H 50 4.685 4.586 0.099 1
1 682 . 19 1 1 A 51 51 THR C C 50 171.631 173.976 -2.345 1
1 683 . 19 1 1 A 51 51 THR CA C 50 63.581 63.186 0.395 1
1 684 . 19 1 1 A 51 51 THR CB C 50 71.587 70.586 1.001 1
1 686 . 19 1 1 A 51 51 THR N N 50 112.535 112.649 -0.114 1
1 687 . 19 1 1 A 52 52 LYS H H 51 6.971 7.515 -0.544 1
1 688 . 19 1 1 A 52 52 LYS HA H 51 4.443 5.455 -1.012 1
1 697 . 19 1 1 A 52 52 LYS C C 51 175.417 175.315 0.102 1
1 698 . 19 1 1 A 52 52 LYS CA C 51 55.209 54.998 0.211 1
1 699 . 19 1 1 A 52 52 LYS CB C 51 33.309 35.068 -1.759 1
1 703 . 19 1 1 A 52 52 LYS N N 51 120.227 119.528 0.699 1
1 704 . 19 1 1 A 53 53 PHE H H 52 9.688 9.259 0.429 1
1 705 . 19 1 1 A 53 53 PHE HA H 52 5.675 4.985 0.690 1
1 712 . 19 1 1 A 53 53 PHE C C 52 174.348 174.499 -0.151 1
1 713 . 19 1 1 A 53 53 PHE CA C 52 56.625 56.679 -0.054 1
1 714 . 19 1 1 A 53 53 PHE CB C 52 43.109 43.557 -0.448 1
1 716 . 19 1 1 A 53 53 PHE N N 52 124.646 119.457 5.189 1
1 717 . 19 1 1 A 54 54 LEU H H 53 8.470 9.069 -0.599 1
1 718 . 19 1 1 A 54 54 LEU HA H 53 5.044 4.886 0.158 1
1 728 . 19 1 1 A 54 54 LEU C C 53 176.144 175.642 0.502 1
1 729 . 19 1 1 A 54 54 LEU CA C 53 52.954 53.329 -0.375 1
1 730 . 19 1 1 A 54 54 LEU CB C 53 45.081 42.325 2.756 1
1 734 . 19 1 1 A 54 54 LEU N N 53 119.430 123.624 -4.194 1
1 735 . 19 1 1 A 55 55 VAL H H 54 8.802 8.701 0.101 1
1 736 . 19 1 1 A 55 55 VAL HA H 54 4.640 4.532 0.108 1
1 744 . 19 1 1 A 55 55 VAL CA C 54 58.549 59.109 -0.560 1
1 745 . 19 1 1 A 55 55 VAL CB C 54 35.342 32.002 3.340 1
1 748 . 19 1 1 A 55 55 VAL N N 54 123.841 125.829 -1.988 1
1 749 . 19 1 1 A 56 56 PRO HA H 55 4.439 4.673 -0.234 1
1 756 . 19 1 1 A 56 56 PRO C C 55 176.666 176.480 0.186 1
1 757 . 19 1 1 A 56 56 PRO CA C 55 64.256 62.319 1.937 1
1 758 . 19 1 1 A 56 56 PRO CB C 55 32.783 31.544 1.239 1
1 761 . 19 1 1 A 57 57 ASP H H 56 8.412 7.842 0.570 1
1 762 . 19 1 1 A 57 57 ASP HA H 56 3.848 4.491 -0.643 1
1 765 . 19 1 1 A 57 57 ASP C C 56 175.417 176.581 -1.164 1
1 766 . 19 1 1 A 57 57 ASP CA C 56 56.616 54.056 2.560 1
1 767 . 19 1 1 A 57 57 ASP CB C 56 40.410 39.732 0.678 1
1 768 . 19 1 1 A 57 57 ASP N N 56 120.415 122.831 -2.416 1
1 769 . 19 1 1 A 58 58 HIS H H 57 7.373 8.112 -0.739 1
1 770 . 19 1 1 A 58 58 HIS HA H 57 4.770 4.811 -0.041 1
1 775 . 19 1 1 A 58 58 HIS C C 57 176.594 174.127 2.467 1
1 776 . 19 1 1 A 58 58 HIS CA C 57 55.584 54.896 0.688 1
1 777 . 19 1 1 A 58 58 HIS CB C 57 30.628 30.918 -0.290 1
1 780 . 19 1 1 A 58 58 HIS N N 57 113.439 114.990 -1.551 1
1 781 . 19 1 1 A 59 59 VAL H H 58 7.249 7.581 -0.332 1
1 782 . 19 1 1 A 59 59 VAL HA H 58 3.903 4.815 -0.912 1
1 790 . 19 1 1 A 59 59 VAL C C 58 175.014 174.060 0.954 1
1 791 . 19 1 1 A 59 59 VAL CA C 58 62.726 59.031 3.695 1
1 792 . 19 1 1 A 59 59 VAL CB C 58 32.190 36.123 -3.933 1
1 795 . 19 1 1 A 59 59 VAL N N 58 122.597 115.678 6.919 1
1 796 . 19 1 1 A 60 60 ASN H H 59 8.677 8.342 0.335 1
1 797 . 19 1 1 A 60 60 ASN HA H 59 5.187 5.044 0.143 1
1 802 . 19 1 1 A 60 60 ASN C C 59 176.477 176.938 -0.461 1
1 803 . 19 1 1 A 60 60 ASN CA C 59 51.181 51.031 0.150 1
1 804 . 19 1 1 A 60 60 ASN CB C 59 39.947 40.909 -0.962 1
1 806 . 19 1 1 A 60 60 ASN N N 59 122.962 119.275 3.687 1
1 808 . 19 1 1 A 61 61 MET H H 60 8.038 8.454 -0.416 1
1 809 . 19 1 1 A 61 61 MET HA H 60 4.426 4.222 0.204 1
1 817 . 19 1 1 A 61 61 MET C C 60 177.996 178.462 -0.466 1
1 818 . 19 1 1 A 61 61 MET CA C 60 57.118 58.200 -1.082 1
1 819 . 19 1 1 A 61 61 MET CB C 60 29.998 32.041 -2.043 1
1 822 . 19 1 1 A 61 61 MET N N 60 116.814 118.237 -1.423 1
1 823 . 19 1 1 A 62 62 SER H H 61 8.401 8.308 0.093 1
1 824 . 19 1 1 A 62 62 SER HA H 61 4.132 4.190 -0.058 1
1 827 . 19 1 1 A 62 62 SER C C 61 177.255 177.090 0.165 1
1 828 . 19 1 1 A 62 62 SER CA C 61 61.559 61.576 -0.017 1
1 829 . 19 1 1 A 62 62 SER CB C 61 62.430 62.644 -0.214 1
1 830 . 19 1 1 A 62 62 SER N N 61 114.109 116.055 -1.946 1
1 831 . 19 1 1 A 63 63 GLU H H 62 8.014 7.905 0.109 1
1 832 . 19 1 1 A 63 63 GLU HA H 62 4.016 3.950 0.066 1
1 837 . 19 1 1 A 63 63 GLU C C 62 178.327 178.846 -0.519 1
1 838 . 19 1 1 A 63 63 GLU CA C 62 58.787 59.447 -0.660 1
1 839 . 19 1 1 A 63 63 GLU CB C 62 29.814 29.105 0.709 1
1 841 . 19 1 1 A 63 63 GLU N N 62 122.806 121.747 1.059 1
1 842 . 19 1 1 A 64 64 LEU H H 63 8.254 8.105 0.149 1
1 843 . 19 1 1 A 64 64 LEU HA H 63 3.932 3.920 0.012 1
1 853 . 19 1 1 A 64 64 LEU C C 63 178.029 178.406 -0.377 1
1 854 . 19 1 1 A 64 64 LEU CA C 63 57.986 58.101 -0.115 1
1 855 . 19 1 1 A 64 64 LEU CB C 63 41.377 41.918 -0.541 1
1 859 . 19 1 1 A 64 64 LEU N N 63 120.526 121.968 -1.442 1
1 860 . 19 1 1 A 65 65 ILE H H 64 8.415 8.364 0.051 1
1 861 . 19 1 1 A 65 65 ILE HA H 64 3.377 3.516 -0.139 1
1 871 . 19 1 1 A 65 65 ILE C C 64 177.078 177.944 -0.866 1
1 872 . 19 1 1 A 65 65 ILE CA C 64 66.699 64.999 1.700 1
1 873 . 19 1 1 A 65 65 ILE CB C 64 38.128 37.573 0.555 1
1 877 . 19 1 1 A 65 65 ILE N N 64 118.349 119.611 -1.262 1
1 878 . 19 1 1 A 66 66 LYS H H 65 7.366 8.003 -0.637 1
1 879 . 19 1 1 A 66 66 LYS HA H 65 3.696 3.950 -0.254 1
1 888 . 19 1 1 A 66 66 LYS C C 65 179.260 178.485 0.775 1
1 889 . 19 1 1 A 66 66 LYS CA C 65 60.593 58.436 2.157 1
1 890 . 19 1 1 A 66 66 LYS CB C 65 32.421 32.135 0.286 1
1 894 . 19 1 1 A 66 66 LYS N N 65 118.334 118.618 -0.284 1
1 895 . 19 1 1 A 67 67 ILE H H 66 8.179 7.422 0.757 1
1 896 . 19 1 1 A 67 67 ILE HA H 66 3.546 3.900 -0.354 1
1 906 . 19 1 1 A 67 67 ILE C C 66 178.784 178.311 0.473 1
1 907 . 19 1 1 A 67 67 ILE CA C 66 65.488 64.088 1.400 1
1 908 . 19 1 1 A 67 67 ILE CB C 66 38.593 37.824 0.769 1
1 912 . 19 1 1 A 67 67 ILE N N 66 119.791 118.874 0.917 1
1 913 . 19 1 1 A 68 68 ILE H H 67 8.279 7.830 0.449 1
1 914 . 19 1 1 A 68 68 ILE HA H 67 3.391 3.324 0.067 1
1 924 . 19 1 1 A 68 68 ILE C C 67 177.403 177.596 -0.193 1
1 925 . 19 1 1 A 68 68 ILE CA C 67 63.144 65.074 -1.930 1
1 926 . 19 1 1 A 68 68 ILE CB C 67 35.269 37.359 -2.090 1
1 930 . 19 1 1 A 68 68 ILE N N 67 120.267 121.153 -0.886 1
1 931 . 19 1 1 A 69 69 ARG H H 68 8.454 7.883 0.571 1
1 932 . 19 1 1 A 69 69 ARG HA H 68 2.966 3.613 -0.647 1
1 939 . 19 1 1 A 69 69 ARG C C 68 178.385 177.760 0.625 1
1 940 . 19 1 1 A 69 69 ARG CA C 68 60.642 58.379 2.263 1
1 941 . 19 1 1 A 69 69 ARG CB C 68 30.442 29.351 1.091 1
1 944 . 19 1 1 A 69 69 ARG N N 68 118.881 120.540 -1.659 1
1 945 . 19 1 1 A 70 70 ARG H H 69 7.492 7.886 -0.394 1
1 946 . 19 1 1 A 70 70 ARG HA H 69 4.164 4.119 0.045 1
1 954 . 19 1 1 A 70 70 ARG C C 69 180.253 178.789 1.464 1
1 955 . 19 1 1 A 70 70 ARG CA C 69 58.510 58.941 -0.431 1
1 956 . 19 1 1 A 70 70 ARG CB C 69 29.587 29.896 -0.309 1
1 960 . 19 1 1 A 70 70 ARG N N 69 116.411 118.780 -2.369 1
1 962 . 19 1 1 A 71 71 ARG H H 70 8.086 8.134 -0.048 1
1 963 . 19 1 1 A 71 71 ARG HA H 70 4.025 4.084 -0.059 1
1 970 . 19 1 1 A 71 71 ARG C C 70 178.558 178.320 0.238 1
1 971 . 19 1 1 A 71 71 ARG CA C 70 59.428 59.102 0.326 1
1 972 . 19 1 1 A 71 71 ARG CB C 70 30.235 30.372 -0.137 1
1 975 . 19 1 1 A 71 71 ARG N N 70 122.779 119.454 3.325 1
1 976 . 19 1 1 A 72 72 LEU H H 71 7.755 7.772 -0.017 1
1 977 . 19 1 1 A 72 72 LEU HA H 71 4.081 4.178 -0.097 1
1 987 . 19 1 1 A 72 72 LEU C C 71 174.852 176.366 -1.514 1
1 988 . 19 1 1 A 72 72 LEU CA C 71 55.060 55.168 -0.108 1
1 989 . 19 1 1 A 72 72 LEU CB C 71 43.109 42.052 1.057 1
1 993 . 19 1 1 A 72 72 LEU N N 71 116.551 117.878 -1.327 1
1 994 . 19 1 1 A 73 73 GLN H H 72 7.740 7.970 -0.230 1
1 995 . 19 1 1 A 73 73 GLN HA H 72 3.853 3.952 -0.099 1
1 1002 . 19 1 1 A 73 73 GLN C C 72 175.619 175.053 0.566 1
1 1003 . 19 1 1 A 73 73 GLN CA C 72 56.273 56.611 -0.338 1
1 1004 . 19 1 1 A 73 73 GLN CB C 72 25.939 26.288 -0.349 1
1 1007 . 19 1 1 A 73 73 GLN N N 72 114.737 117.766 -3.029 1
1 1009 . 19 1 1 A 74 74 LEU H H 73 7.525 7.718 -0.193 1
1 1010 . 19 1 1 A 74 74 LEU HA H 73 4.242 4.347 -0.105 1
1 1020 . 19 1 1 A 74 74 LEU C C 73 178.611 175.870 2.741 1
1 1021 . 19 1 1 A 74 74 LEU CA C 73 54.382 54.850 -0.468 1
1 1022 . 19 1 1 A 74 74 LEU CB C 73 41.995 42.473 -0.478 1
1 1026 . 19 1 1 A 74 74 LEU N N 73 114.861 121.058 -6.197 1
1 1027 . 19 1 1 A 75 75 ASN H H 74 8.970 8.603 0.367 1
1 1028 . 19 1 1 A 75 75 ASN HA H 74 4.694 5.047 -0.353 1
1 1033 . 19 1 1 A 75 75 ASN C C 74 176.527 175.994 0.533 1
1 1034 . 19 1 1 A 75 75 ASN CA C 74 52.686 51.393 1.293 1
1 1035 . 19 1 1 A 75 75 ASN CB C 74 39.583 41.427 -1.844 1
1 1037 . 19 1 1 A 75 75 ASN N N 74 121.274 117.615 3.659 1
1 1039 . 19 1 1 A 76 76 ALA H H 75 8.697 8.737 -0.040 1
1 1040 . 19 1 1 A 76 76 ALA HA H 75 3.966 4.124 -0.158 1
1 1044 . 19 1 1 A 76 76 ALA C C 75 178.002 178.611 -0.609 1
1 1045 . 19 1 1 A 76 76 ALA CA C 75 54.797 54.072 0.725 1
1 1046 . 19 1 1 A 76 76 ALA CB C 75 18.669 18.572 0.097 1
1 1047 . 19 1 1 A 76 76 ALA N N 75 123.590 121.959 1.631 1
1 1048 . 19 1 1 A 77 77 ASN H H 76 8.344 8.231 0.113 1
1 1049 . 19 1 1 A 77 77 ASN HA H 76 4.585 4.666 -0.081 1
1 1054 . 19 1 1 A 77 77 ASN C C 76 175.371 175.215 0.156 1
1 1055 . 19 1 1 A 77 77 ASN CA C 76 53.183 54.035 -0.852 1
1 1056 . 19 1 1 A 77 77 ASN CB C 76 38.277 39.157 -0.880 1
1 1058 . 19 1 1 A 77 77 ASN N N 76 112.004 114.512 -2.508 1
1 1060 . 19 1 1 A 78 78 GLN H H 77 7.532 7.645 -0.113 1
1 1061 . 19 1 1 A 78 78 GLN HA H 77 4.281 4.603 -0.322 1
1 1068 . 19 1 1 A 78 78 GLN C C 77 175.001 174.914 0.087 1
1 1069 . 19 1 1 A 78 78 GLN CA C 77 55.875 55.822 0.053 1
1 1070 . 19 1 1 A 78 78 GLN CB C 77 30.227 29.990 0.237 1
1 1073 . 19 1 1 A 78 78 GLN N N 77 120.237 120.158 0.079 1
1 1075 . 19 1 1 A 79 79 ALA H H 78 8.732 8.689 0.043 1
1 1076 . 19 1 1 A 79 79 ALA HA H 78 4.183 5.453 -1.270 1
1 1080 . 19 1 1 A 79 79 ALA C C 78 176.367 175.814 0.553 1
1 1081 . 19 1 1 A 79 79 ALA CA C 78 52.798 50.031 2.767 1
1 1082 . 19 1 1 A 79 79 ALA CB C 78 20.051 22.822 -2.771 1
1 1083 . 19 1 1 A 79 79 ALA N N 78 130.399 127.664 2.735 1
1 1084 . 19 1 1 A 80 80 PHE H H 79 7.603 8.460 -0.857 1
1 1085 . 19 1 1 A 80 80 PHE HA H 79 4.449 5.136 -0.687 1
1 1093 . 19 1 1 A 80 80 PHE C C 79 171.709 172.789 -1.080 1
1 1094 . 19 1 1 A 80 80 PHE CA C 79 59.101 57.611 1.490 1
1 1095 . 19 1 1 A 80 80 PHE CB C 79 42.282 42.700 -0.418 1
1 1099 . 19 1 1 A 80 80 PHE N N 79 118.988 121.684 -2.696 1
1 1100 . 19 1 1 A 81 81 PHE H H 80 8.507 8.808 -0.301 1
1 1101 . 19 1 1 A 81 81 PHE HA H 80 4.421 4.928 -0.507 1
1 1109 . 19 1 1 A 81 81 PHE C C 80 172.644 173.807 -1.163 1
1 1110 . 19 1 1 A 81 81 PHE CA C 80 56.711 56.053 0.658 1
1 1111 . 19 1 1 A 81 81 PHE CB C 80 41.880 42.412 -0.532 1
1 1115 . 19 1 1 A 81 81 PHE N N 80 126.042 124.637 1.405 1
1 1116 . 19 1 1 A 82 82 LEU H H 81 8.199 8.916 -0.717 1
1 1117 . 19 1 1 A 82 82 LEU HA H 81 4.883 4.651 0.232 1
1 1127 . 19 1 1 A 82 82 LEU C C 81 174.440 174.735 -0.295 1
1 1128 . 19 1 1 A 82 82 LEU CA C 81 53.153 54.343 -1.190 1
1 1129 . 19 1 1 A 82 82 LEU CB C 81 45.520 43.230 2.290 1
1 1133 . 19 1 1 A 82 82 LEU N N 81 121.512 126.191 -4.679 1
1 1134 . 19 1 1 A 83 83 LEU H H 82 9.349 9.745 -0.396 1
1 1135 . 19 1 1 A 83 83 LEU HA H 82 4.810 4.786 0.024 1
1 1145 . 19 1 1 A 83 83 LEU C C 82 177.075 175.871 1.204 1
1 1146 . 19 1 1 A 83 83 LEU CA C 82 54.122 53.866 0.256 1
1 1147 . 19 1 1 A 83 83 LEU CB C 82 43.394 41.626 1.768 1
1 1151 . 19 1 1 A 83 83 LEU N N 82 125.253 129.220 -3.967 1
1 1152 . 19 1 1 A 84 84 VAL H H 83 8.681 9.167 -0.486 1
1 1153 . 19 1 1 A 84 84 VAL HA H 83 4.411 3.912 0.499 1
1 1161 . 19 1 1 A 84 84 VAL C C 83 175.797 176.023 -0.226 1
1 1162 . 19 1 1 A 84 84 VAL CA C 83 61.630 62.610 -0.980 1
1 1163 . 19 1 1 A 84 84 VAL CB C 83 33.647 31.240 2.407 1
1 1166 . 19 1 1 A 84 84 VAL N N 83 123.543 125.848 -2.305 1
1 1167 . 19 1 1 A 85 85 ASN H H 84 9.622 9.147 0.475 1
1 1168 . 19 1 1 A 85 85 ASN HA H 84 4.399 4.626 -0.227 1
1 1173 . 19 1 1 A 85 85 ASN C C 84 175.042 175.109 -0.067 1
1 1174 . 19 1 1 A 85 85 ASN CA C 84 54.610 54.165 0.445 1
1 1175 . 19 1 1 A 85 85 ASN CB C 84 37.927 36.846 1.081 1
1 1177 . 19 1 1 A 85 85 ASN N N 84 125.848 127.106 -1.258 1
1 1179 . 19 1 1 A 86 86 GLY H H 85 8.551 8.315 0.236 1
1 1180 . 19 1 1 A 86 86 GLY HA2 H 85 3.368 3.906 -0.538 1
1 1181 . 19 1 1 A 86 86 GLY HA3 H 85 4.064 3.925 0.139 1
1 1182 . 19 1 1 A 86 86 GLY C C 85 173.524 173.727 -0.203 1
1 1183 . 19 1 1 A 86 86 GLY CA C 85 45.588 45.383 0.205 1
1 1184 . 19 1 1 A 86 86 GLY N N 85 101.093 104.986 -3.893 1
1 1185 . 19 1 1 A 87 87 HIS H H 86 7.906 7.482 0.424 1
1 1186 . 19 1 1 A 87 87 HIS HA H 86 5.003 5.252 -0.249 1
1 1191 . 19 1 1 A 87 87 HIS C C 86 173.910 174.469 -0.559 1
1 1192 . 19 1 1 A 87 87 HIS CA C 86 54.213 53.724 0.489 1
1 1193 . 19 1 1 A 87 87 HIS CB C 86 31.482 33.023 -1.541 1
1 1196 . 19 1 1 A 87 87 HIS N N 86 117.253 115.132 2.121 1
1 1197 . 19 1 1 A 88 88 SER H H 87 8.846 9.046 -0.200 1
1 1198 . 19 1 1 A 88 88 SER HA H 87 4.702 4.561 0.141 1
1 1201 . 19 1 1 A 88 88 SER C C 87 175.739 175.618 0.121 1
1 1202 . 19 1 1 A 88 88 SER CA C 87 58.245 58.121 0.124 1
1 1203 . 19 1 1 A 88 88 SER CB C 87 63.764 65.046 -1.282 1
1 1204 . 19 1 1 A 88 88 SER N N 87 117.469 115.282 2.187 1
1 1205 . 19 1 1 A 89 89 MET H H 88 9.174 8.613 0.561 1
1 1206 . 19 1 1 A 89 89 MET HA H 88 4.820 4.859 -0.039 1
1 1214 . 19 1 1 A 89 89 MET C C 88 176.294 176.520 -0.226 1
1 1215 . 19 1 1 A 89 89 MET CA C 88 54.853 54.605 0.248 1
1 1216 . 19 1 1 A 89 89 MET CB C 88 33.183 32.592 0.591 1
1 1219 . 19 1 1 A 89 89 MET N N 88 125.111 117.518 7.593 1
1 1220 . 19 1 1 A 90 90 VAL H H 89 8.217 7.389 0.828 1
1 1221 . 19 1 1 A 90 90 VAL HA H 89 4.063 3.984 0.079 1
1 1229 . 19 1 1 A 90 90 VAL C C 89 176.249 175.962 0.287 1
1 1230 . 19 1 1 A 90 90 VAL CA C 89 63.377 62.986 0.391 1
1 1231 . 19 1 1 A 90 90 VAL CB C 89 32.473 31.453 1.020 1
1 1234 . 19 1 1 A 90 90 VAL N N 89 120.477 119.428 1.049 1
1 1235 . 19 1 1 A 91 91 SER H H 90 8.356 8.919 -0.563 1
1 1236 . 19 1 1 A 91 91 SER HA H 90 4.614 4.095 0.519 1
1 1239 . 19 1 1 A 91 91 SER C C 90 175.841 173.547 2.294 1
1 1240 . 19 1 1 A 91 91 SER CA C 90 57.860 59.128 -1.268 1
1 1241 . 19 1 1 A 91 91 SER CB C 90 63.398 61.443 1.955 1
1 1242 . 19 1 1 A 91 91 SER N N 90 116.676 116.184 0.492 1
1 1243 . 19 1 1 A 92 92 VAL H H 91 8.158 7.859 0.299 1
1 1244 . 19 1 1 A 92 92 VAL HA H 91 4.245 4.017 0.228 1
1 1252 . 19 1 1 A 92 92 VAL C C 91 175.856 175.802 0.054 1
1 1253 . 19 1 1 A 92 92 VAL CA C 91 63.121 63.416 -0.295 1
1 1254 . 19 1 1 A 92 92 VAL CB C 91 31.872 32.155 -0.283 1
1 1257 . 19 1 1 A 92 92 VAL N N 91 119.994 120.496 -0.502 1
1 1258 . 19 1 1 A 93 93 SER H H 92 8.368 8.775 -0.407 1
1 1259 . 19 1 1 A 93 93 SER HA H 92 4.581 4.848 -0.267 1
1 1262 . 19 1 1 A 93 93 SER C C 92 174.154 172.463 1.691 1
1 1263 . 19 1 1 A 93 93 SER CA C 92 57.706 58.033 -0.327 1
1 1264 . 19 1 1 A 93 93 SER CB C 92 63.126 64.146 -1.020 1
1 1265 . 19 1 1 A 93 93 SER N N 92 116.504 124.818 -8.314 1
1 1266 . 19 1 1 A 94 94 THR H H 93 7.427 7.617 -0.190 1
1 1267 . 19 1 1 A 94 94 THR HA H 93 4.464 4.719 -0.255 1
1 1272 . 19 1 1 A 94 94 THR CA C 93 61.032 58.968 2.064 1
1 1273 . 19 1 1 A 94 94 THR CB C 93 70.505 71.990 -1.485 1
1 1275 . 19 1 1 A 94 94 THR N N 93 119.172 116.690 2.482 1
1 1276 . 19 1 1 A 95 95 PRO HA H 94 4.426 4.698 -0.272 1
1 1283 . 19 1 1 A 95 95 PRO C C 94 178.692 178.100 0.592 1
1 1284 . 19 1 1 A 95 95 PRO CA C 94 62.921 62.663 0.258 1
1 1285 . 19 1 1 A 95 95 PRO CB C 94 32.774 32.650 0.124 1
1 1288 . 19 1 1 A 96 96 ILE H H 95 9.324 8.976 0.348 1
1 1289 . 19 1 1 A 96 96 ILE HA H 95 3.956 3.968 -0.012 1
1 1299 . 19 1 1 A 96 96 ILE C C 95 176.415 177.163 -0.748 1
1 1300 . 19 1 1 A 96 96 ILE CA C 95 63.880 63.728 0.152 1
1 1301 . 19 1 1 A 96 96 ILE CB C 95 38.055 37.978 0.077 1
1 1305 . 19 1 1 A 96 96 ILE N N 95 123.862 125.463 -1.601 1
1 1306 . 19 1 1 A 97 97 SER H H 96 8.211 8.111 0.100 1
1 1307 . 19 1 1 A 97 97 SER HA H 96 3.978 4.080 -0.102 1
1 1310 . 19 1 1 A 97 97 SER C C 96 176.494 176.950 -0.456 1
1 1311 . 19 1 1 A 97 97 SER CA C 96 61.576 61.478 0.098 1
1 1312 . 19 1 1 A 97 97 SER CB C 96 61.262 62.872 -1.610 1
1 1313 . 19 1 1 A 97 97 SER N N 96 116.529 118.182 -1.653 1
1 1314 . 19 1 1 A 98 98 GLU H H 97 7.329 8.049 -0.720 1
1 1315 . 19 1 1 A 98 98 GLU HA H 97 4.290 4.297 -0.007 1
1 1320 . 19 1 1 A 98 98 GLU C C 97 179.288 178.974 0.314 1
1 1321 . 19 1 1 A 98 98 GLU CA C 97 58.705 59.280 -0.575 1
1 1322 . 19 1 1 A 98 98 GLU CB C 97 29.791 30.336 -0.545 1
1 1324 . 19 1 1 A 98 98 GLU N N 97 122.955 121.705 1.250 1
1 1325 . 19 1 1 A 99 99 VAL H H 98 7.386 8.547 -1.161 1
1 1326 . 19 1 1 A 99 99 VAL HA H 98 3.815 3.816 -0.001 1
1 1334 . 19 1 1 A 99 99 VAL C C 98 177.662 178.244 -0.582 1
1 1335 . 19 1 1 A 99 99 VAL CA C 98 65.774 65.811 -0.037 1
1 1336 . 19 1 1 A 99 99 VAL CB C 98 32.047 31.739 0.308 1
1 1339 . 19 1 1 A 99 99 VAL N N 98 120.888 120.491 0.397 1
1 1340 . 19 1 1 A 100 100 TYR H H 99 8.984 7.981 1.003 1
1 1341 . 19 1 1 A 100 100 TYR HA H 99 4.013 4.208 -0.195 1
1 1348 . 19 1 1 A 100 100 TYR C C 99 176.355 178.118 -1.763 1
1 1349 . 19 1 1 A 100 100 TYR CA C 99 62.118 61.511 0.607 1
1 1350 . 19 1 1 A 100 100 TYR CB C 99 38.921 39.025 -0.104 1
1 1353 . 19 1 1 A 100 100 TYR N N 99 118.874 121.374 -2.500 1
1 1354 . 19 1 1 A 101 101 GLU H H 100 7.433 8.342 -0.909 1
1 1355 . 19 1 1 A 101 101 GLU HA H 100 3.833 4.056 -0.223 1
1 1360 . 19 1 1 A 101 101 GLU C C 100 177.674 176.793 0.881 1
1 1361 . 19 1 1 A 101 101 GLU CA C 100 58.895 57.917 0.978 1
1 1362 . 19 1 1 A 101 101 GLU CB C 100 29.577 28.801 0.776 1
1 1364 . 19 1 1 A 101 101 GLU N N 100 114.383 117.675 -3.292 1
1 1365 . 19 1 1 A 102 102 SER H H 101 7.423 8.106 -0.683 1
1 1366 . 19 1 1 A 102 102 SER HA H 101 4.552 4.715 -0.163 1
1 1369 . 19 1 1 A 102 102 SER C C 101 176.554 174.819 1.735 1
1 1370 . 19 1 1 A 102 102 SER CA C 101 60.200 58.473 1.727 1
1 1371 . 19 1 1 A 102 102 SER CB C 101 64.828 64.186 0.642 1
1 1372 . 19 1 1 A 102 102 SER N N 101 108.722 115.278 -6.556 1
1 1373 . 19 1 1 A 103 103 GLU H H 102 8.488 7.777 0.711 1
1 1374 . 19 1 1 A 103 103 GLU HA H 102 4.752 4.531 0.221 1
1 1379 . 19 1 1 A 103 103 GLU C C 102 176.653 176.365 0.288 1
1 1380 . 19 1 1 A 103 103 GLU CA C 102 55.464 57.342 -1.878 1
1 1381 . 19 1 1 A 103 103 GLU CB C 102 30.611 32.387 -1.776 1
1 1383 . 19 1 1 A 103 103 GLU N N 102 116.116 118.683 -2.567 1
1 1384 . 19 1 1 A 104 104 ARG H H 103 7.511 7.795 -0.284 1
1 1385 . 19 1 1 A 104 104 ARG HA H 103 4.241 4.160 0.081 1
1 1392 . 19 1 1 A 104 104 ARG C C 103 174.634 175.624 -0.990 1
1 1393 . 19 1 1 A 104 104 ARG CA C 103 56.926 56.207 0.719 1
1 1394 . 19 1 1 A 104 104 ARG CB C 103 29.713 30.056 -0.343 1
1 1397 . 19 1 1 A 104 104 ARG N N 103 117.180 118.177 -0.997 1
1 1398 . 19 1 1 A 105 105 ASP H H 104 9.069 8.848 0.221 1
1 1399 . 19 1 1 A 105 105 ASP HA H 104 4.774 5.059 -0.285 1
1 1402 . 19 1 1 A 105 105 ASP C C 104 177.460 176.880 0.580 1
1 1403 . 19 1 1 A 105 105 ASP CA C 104 53.852 52.538 1.314 1
1 1404 . 19 1 1 A 105 105 ASP CB C 104 43.424 43.584 -0.160 1
1 1405 . 19 1 1 A 105 105 ASP N N 104 123.349 122.398 0.951 1
1 1406 . 19 1 1 A 106 106 GLU H H 105 8.982 8.975 0.007 1
1 1407 . 19 1 1 A 106 106 GLU HA H 105 4.199 4.002 0.197 1
1 1412 . 19 1 1 A 106 106 GLU C C 105 177.398 178.073 -0.675 1
1 1413 . 19 1 1 A 106 106 GLU CA C 105 59.413 60.153 -0.740 1
1 1414 . 19 1 1 A 106 106 GLU CB C 105 29.983 29.632 0.351 1
1 1416 . 19 1 1 A 106 106 GLU N N 105 125.197 121.024 4.173 1
1 1417 . 19 1 1 A 107 107 ASP H H 106 9.873 7.856 2.017 1
1 1418 . 19 1 1 A 107 107 ASP HA H 106 4.211 4.177 0.034 1
1 1421 . 19 1 1 A 107 107 ASP C C 106 175.775 176.650 -0.875 1
1 1422 . 19 1 1 A 107 107 ASP CA C 106 54.698 55.184 -0.486 1
1 1423 . 19 1 1 A 107 107 ASP CB C 106 40.187 41.287 -1.100 1
1 1424 . 19 1 1 A 107 107 ASP N N 106 118.717 116.952 1.765 1
1 1425 . 19 1 1 A 108 108 GLY H H 107 7.971 8.111 -0.140 1
1 1426 . 19 1 1 A 108 108 GLY HA2 H 107 3.431 3.828 -0.397 1
1 1427 . 19 1 1 A 108 108 GLY HA3 H 107 4.526 3.892 0.634 1
1 1428 . 19 1 1 A 108 108 GLY C C 107 175.138 173.888 1.250 1
1 1429 . 19 1 1 A 108 108 GLY CA C 107 45.029 45.117 -0.088 1
1 1430 . 19 1 1 A 108 108 GLY N N 107 105.017 108.774 -3.757 1
1 1431 . 19 1 1 A 109 109 PHE H H 108 9.799 8.241 1.558 1
1 1432 . 19 1 1 A 109 109 PHE HA H 108 4.607 4.534 0.073 1
1 1440 . 19 1 1 A 109 109 PHE C C 108 175.171 174.882 0.289 1
1 1441 . 19 1 1 A 109 109 PHE CA C 108 60.222 57.818 2.404 1
1 1442 . 19 1 1 A 109 109 PHE CB C 108 40.433 40.050 0.383 1
1 1446 . 19 1 1 A 109 109 PHE N N 108 123.309 119.858 3.451 1
1 1447 . 19 1 1 A 110 110 LEU H H 109 8.061 8.543 -0.482 1
1 1448 . 19 1 1 A 110 110 LEU HA H 109 5.022 4.325 0.697 1
1 1458 . 19 1 1 A 110 110 LEU C C 109 174.033 175.849 -1.816 1
1 1459 . 19 1 1 A 110 110 LEU CA C 109 53.539 54.923 -1.384 1
1 1460 . 19 1 1 A 110 110 LEU CB C 109 45.284 42.472 2.812 1
1 1464 . 19 1 1 A 110 110 LEU N N 109 119.999 125.211 -5.212 1
1 1465 . 19 1 1 A 111 111 TYR H H 110 9.363 9.275 0.088 1
1 1466 . 19 1 1 A 111 111 TYR HA H 110 4.906 5.102 -0.196 1
1 1473 . 19 1 1 A 111 111 TYR C C 110 176.538 174.917 1.621 1
1 1474 . 19 1 1 A 111 111 TYR CA C 110 59.335 56.725 2.610 1
1 1475 . 19 1 1 A 111 111 TYR CB C 110 39.485 40.452 -0.967 1
1 1478 . 19 1 1 A 111 111 TYR N N 110 126.322 123.850 2.472 1
1 1479 . 19 1 1 A 112 112 MET H H 111 9.496 8.437 1.059 1
1 1480 . 19 1 1 A 112 112 MET HA H 111 5.522 5.165 0.357 1
1 1488 . 19 1 1 A 112 112 MET C C 111 175.676 174.159 1.517 1
1 1489 . 19 1 1 A 112 112 MET CA C 111 54.216 54.511 -0.295 1
1 1490 . 19 1 1 A 112 112 MET CB C 111 36.821 37.201 -0.380 1
1 1493 . 19 1 1 A 112 112 MET N N 111 119.003 122.972 -3.969 1
1 1494 . 19 1 1 A 113 113 VAL H H 112 8.749 8.759 -0.010 1
1 1495 . 19 1 1 A 113 113 VAL HA H 112 5.967 4.943 1.024 1
1 1503 . 19 1 1 A 113 113 VAL C C 112 174.893 174.935 -0.042 1
1 1504 . 19 1 1 A 113 113 VAL CA C 112 58.896 61.267 -2.371 1
1 1505 . 19 1 1 A 113 113 VAL CB C 112 36.149 33.784 2.365 1
1 1508 . 19 1 1 A 113 113 VAL N N 112 119.658 122.125 -2.467 1
1 1509 . 19 1 1 A 114 114 TYR H H 113 8.210 8.621 -0.411 1
1 1510 . 19 1 1 A 114 114 TYR HA H 113 6.141 5.871 0.270 1
1 1517 . 19 1 1 A 114 114 TYR C C 113 173.353 173.377 -0.024 1
1 1518 . 19 1 1 A 114 114 TYR CA C 113 54.161 54.775 -0.614 1
1 1519 . 19 1 1 A 114 114 TYR CB C 113 43.538 41.953 1.585 1
1 1522 . 19 1 1 A 114 114 TYR N N 113 118.947 122.502 -3.555 1
1 1523 . 19 1 1 A 115 115 ALA H H 114 8.483 8.162 0.321 1
1 1524 . 19 1 1 A 115 115 ALA HA H 114 4.762 4.518 0.244 1
1 1528 . 19 1 1 A 115 115 ALA C C 114 176.033 176.661 -0.628 1
1 1529 . 19 1 1 A 115 115 ALA CA C 114 51.223 51.053 0.170 1
1 1530 . 19 1 1 A 115 115 ALA CB C 114 24.521 22.318 2.203 1
1 1531 . 19 1 1 A 115 115 ALA N N 114 119.557 121.398 -1.841 1
1 1532 . 19 1 1 A 116 116 SER H H 115 9.835 8.677 1.158 1
1 1533 . 19 1 1 A 116 116 SER HA H 115 4.497 4.664 -0.167 1
1 1536 . 19 1 1 A 116 116 SER C C 115 172.664 173.804 -1.140 1
1 1537 . 19 1 1 A 116 116 SER CA C 115 58.669 57.972 0.697 1
1 1538 . 19 1 1 A 116 116 SER CB C 115 63.570 63.427 0.143 1
1 1539 . 19 1 1 A 116 116 SER N N 115 114.435 114.471 -0.036 1
1 1540 . 19 1 1 A 117 117 GLN H H 116 7.180 7.443 -0.263 1
1 1541 . 19 1 1 A 117 117 GLN HA H 116 4.460 4.859 -0.399 1
1 1548 . 19 1 1 A 117 117 GLN C C 116 172.901 175.455 -2.554 1
1 1549 . 19 1 1 A 117 117 GLN CA C 116 53.974 54.482 -0.508 1
1 1550 . 19 1 1 A 117 117 GLN CB C 116 32.192 32.121 0.071 1
1 1553 . 19 1 1 A 117 117 GLN N N 116 116.449 117.317 -0.868 1
1 1555 . 19 1 1 A 118 118 GLU H H 117 7.878 8.690 -0.812 1
1 1556 . 19 1 1 A 118 118 GLU HA H 117 3.259 4.478 -1.219 1
1 1561 . 19 1 1 A 118 118 GLU C C 117 175.233 176.629 -1.396 1
1 1562 . 19 1 1 A 118 118 GLU CA C 117 56.890 56.633 0.257 1
1 1563 . 19 1 1 A 118 118 GLU CB C 117 30.325 30.599 -0.274 1
1 1565 . 19 1 1 A 118 118 GLU N N 117 117.687 123.141 -5.454 1
1 1566 . 19 1 1 A 119 119 THR H H 118 6.968 7.443 -0.475 1
1 1567 . 19 1 1 A 119 119 THR HA H 118 4.082 4.447 -0.365 1
1 1572 . 19 1 1 A 119 119 THR C C 118 173.134 173.993 -0.859 1
1 1573 . 19 1 1 A 119 119 THR CA C 118 60.123 59.851 0.272 1
1 1574 . 19 1 1 A 119 119 THR CB C 118 70.147 68.877 1.270 1
1 1576 . 19 1 1 A 119 119 THR N N 118 109.548 108.721 0.827 1
1 1577 . 19 1 1 A 120 120 PHE H H 119 8.138 7.703 0.435 1
1 1578 . 19 1 1 A 120 120 PHE HA H 119 4.436 4.683 -0.247 1
1 1586 . 19 1 1 A 120 120 PHE C C 119 174.902 176.770 -1.868 1
1 1587 . 19 1 1 A 120 120 PHE CA C 119 56.750 57.323 -0.573 1
1 1588 . 19 1 1 A 120 120 PHE CB C 119 39.411 40.395 -0.984 1
1 1592 . 19 1 1 A 120 120 PHE N N 119 121.777 121.534 0.243 1
1 1607 . 19 2 2 B 2 2 SER H H 332 8.471 8.469 0.002 1
1 1608 . 19 2 2 B 2 2 SER HA H 332 4.484 5.141 -0.657 1
1 1611 . 19 2 2 B 2 2 SER C C 332 174.962 174.144 0.818 1
1 1612 . 19 2 2 B 2 2 SER CA C 332 88.436 57.205 31.231 1
1 1613 . 19 2 2 B 2 2 SER CB C 332 93.927 67.200 26.727 1
1 1614 . 19 2 2 B 2 2 SER N N 332 147.261 116.381 30.880 1
1 1615 . 19 2 2 B 3 3 GLY H H 333 8.601 8.243 0.358 1
1 1616 . 19 2 2 B 3 3 GLY HA2 H 333 4.022 3.971 0.051 1
1 1617 . 19 2 2 B 3 3 GLY HA3 H 333 4.022 3.971 0.051 1
1 1618 . 19 2 2 B 3 3 GLY C C 333 174.774 174.274 0.500 1
1 1619 . 19 2 2 B 3 3 GLY CA C 333 75.465 45.327 30.138 1
1 1620 . 19 2 2 B 3 3 GLY N N 333 141.077 109.739 31.338 1
1 1621 . 19 2 2 B 4 4 GLY H H 334 8.372 8.216 0.156 1
1 1622 . 19 2 2 B 4 4 GLY HA2 H 334 3.980 4.107 -0.127 1
1 1623 . 19 2 2 B 4 4 GLY HA3 H 334 3.980 4.114 -0.134 1
1 1624 . 19 2 2 B 4 4 GLY C C 334 174.758 174.920 -0.162 1
1 1625 . 19 2 2 B 4 4 GLY CA C 334 75.674 44.756 30.918 1
1 1626 . 19 2 2 B 4 4 GLY N N 334 138.894 107.247 31.647 1
1 1627 . 19 2 2 B 5 5 ASP H H 335 8.429 8.910 -0.481 1
1 1628 . 19 2 2 B 5 5 ASP HA H 335 4.610 4.405 0.205 1
1 1631 . 19 2 2 B 5 5 ASP CA C 335 85.066 55.716 29.350 1
1 1632 . 19 2 2 B 5 5 ASP CB C 335 71.191 41.331 29.860 1
1 1633 . 19 2 2 B 5 5 ASP N N 335 149.637 121.173 28.464 1
1 1634 . 19 2 2 B 6 6 ASP H H 336 8.244 8.322 -0.078 1
1 1635 . 19 2 2 B 6 6 ASP HA H 336 4.559 4.313 0.246 1
1 1638 . 19 2 2 B 6 6 ASP C C 336 175.432 174.524 0.908 1
1 1639 . 19 2 2 B 6 6 ASP CA C 336 84.708 55.334 29.374 1
1 1640 . 19 2 2 B 6 6 ASP CB C 336 71.552 39.981 31.571 1
1 1641 . 19 2 2 B 6 6 ASP N N 336 148.885 119.004 29.881 1
1 1642 . 19 2 2 B 7 7 ASP H H 337 7.803 7.868 -0.065 1
1 1643 . 19 2 2 B 7 7 ASP HA H 337 4.655 4.766 -0.111 1
1 1646 . 19 2 2 B 7 7 ASP C C 337 175.362 174.278 1.084 1
1 1647 . 19 2 2 B 7 7 ASP CA C 337 83.670 54.039 29.631 1
1 1648 . 19 2 2 B 7 7 ASP CB C 337 71.933 44.176 27.757 1
1 1649 . 19 2 2 B 7 7 ASP N N 337 149.563 118.686 30.877 1
1 1650 . 19 2 2 B 8 8 TRP H H 338 8.472 8.500 -0.028 1
1 1651 . 19 2 2 B 8 8 TRP HA H 338 4.174 4.945 -0.771 1
1 1660 . 19 2 2 B 8 8 TRP C C 338 175.959 175.616 0.343 1
1 1661 . 19 2 2 B 8 8 TRP CA C 338 87.020 56.606 30.414 1
1 1662 . 19 2 2 B 8 8 TRP CB C 338 61.223 30.921 30.302 1
1 1668 . 19 2 2 B 8 8 TRP N N 338 150.172 125.322 24.850 1
1 1670 . 19 2 2 B 9 9 THR H H 339 7.994 8.424 -0.430 1
1 1671 . 19 2 2 B 9 9 THR HA H 339 4.533 4.404 0.129 1
1 1676 . 19 2 2 B 9 9 THR C C 339 174.035 173.652 0.383 1
1 1677 . 19 2 2 B 9 9 THR CA C 339 92.659 61.390 31.269 1
1 1678 . 19 2 2 B 9 9 THR CB C 339 99.436 69.775 29.661 1
1 1680 . 19 2 2 B 9 9 THR N N 339 149.503 116.480 33.023 1
1 1681 . 19 2 2 B 10 10 HIS H H 340 9.463 8.276 1.187 1
1 1682 . 19 2 2 B 10 10 HIS HA H 340 4.677 5.383 -0.706 1
1 1687 . 19 2 2 B 10 10 HIS C C 340 175.606 174.118 1.488 1
1 1688 . 19 2 2 B 10 10 HIS CA C 340 87.024 53.962 33.062 1
1 1689 . 19 2 2 B 10 10 HIS CB C 340 61.368 31.663 29.705 1
1 1692 . 19 2 2 B 10 10 HIS N N 340 159.135 123.051 36.084 1
1 1693 . 19 2 2 B 11 11 LEU H H 341 8.398 8.819 -0.421 1
1 1694 . 19 2 2 B 11 11 LEU HA H 341 4.848 4.332 0.516 1
1 1704 . 19 2 2 B 11 11 LEU C C 341 175.919 176.107 -0.188 1
1 1705 . 19 2 2 B 11 11 LEU CA C 341 83.684 55.185 28.499 1
1 1706 . 19 2 2 B 11 11 LEU CB C 341 73.601 40.905 32.696 1
1 1710 . 19 2 2 B 11 11 LEU N N 341 153.300 126.449 26.851 1
1 1711 . 19 2 2 B 12 12 SER H H 342 8.382 9.023 -0.641 1
1 1712 . 19 2 2 B 12 12 SER HA H 342 4.652 4.193 0.459 1
1 1715 . 19 2 2 B 12 12 SER C C 342 174.263 174.679 -0.416 1
1 1716 . 19 2 2 B 12 12 SER CA C 342 86.841 62.161 24.680 1
1 1717 . 19 2 2 B 12 12 SER CB C 342 95.113 63.455 31.658 1
1 1718 . 19 2 2 B 12 12 SER N N 342 144.018 120.204 23.814 1
1 1719 . 19 2 2 B 13 13 SER H H 343 8.937 8.010 0.927 1
1 1720 . 19 2 2 B 13 13 SER HA H 343 4.291 4.309 -0.018 1
1 1723 . 19 2 2 B 13 13 SER C C 343 174.652 174.391 0.261 1
1 1724 . 19 2 2 B 13 13 SER CA C 343 89.546 60.604 28.942 1
1 1725 . 19 2 2 B 13 13 SER CB C 343 93.470 61.344 32.126 1
1 1726 . 19 2 2 B 13 13 SER N N 343 148.575 112.798 35.777 1
1 1727 . 19 2 2 B 14 14 LYS H H 344 8.250 8.066 0.184 1
1 1728 . 19 2 2 B 14 14 LYS HA H 344 4.319 4.223 0.096 1
1 1737 . 19 2 2 B 14 14 LYS C C 344 176.699 177.546 -0.847 1
1 1738 . 19 2 2 B 14 14 LYS CA C 344 86.716 58.453 28.263 1
1 1739 . 19 2 2 B 14 14 LYS CB C 344 62.831 32.896 29.935 1
1 1743 . 19 2 2 B 14 14 LYS N N 344 151.908 117.958 33.950 1
1 1744 . 19 2 2 B 15 15 GLU H H 345 8.256 7.720 0.536 1
1 1745 . 19 2 2 B 15 15 GLU HA H 345 4.240 4.376 -0.136 1
1 1750 . 19 2 2 B 15 15 GLU C C 345 176.152 176.141 0.011 1
1 1751 . 19 2 2 B 15 15 GLU CA C 345 87.152 56.621 30.531 1
1 1752 . 19 2 2 B 15 15 GLU CB C 345 60.176 30.406 29.770 1
1 1754 . 19 2 2 B 15 15 GLU N N 345 150.679 117.736 32.943 1
1 1755 . 19 2 2 B 16 16 VAL H H 346 7.762 7.395 0.367 1
1 1756 . 19 2 2 B 16 16 VAL HA H 346 4.161 4.046 0.115 1
1 1764 . 19 2 2 B 16 16 VAL C C 346 174.646 175.747 -1.101 1
1 1765 . 19 2 2 B 16 16 VAL CA C 346 91.707 61.432 30.275 1
1 1766 . 19 2 2 B 16 16 VAL CB C 346 63.107 33.344 29.763 1
1 1769 . 19 2 2 B 16 16 VAL N N 346 146.718 117.773 28.945 1
1 9 . 20 1 1 A 2 2 MET H H 1 8.414 7.607 0.807 1
1 10 . 20 1 1 A 2 2 MET HA H 1 4.826 4.530 0.296 1
1 18 . 20 1 1 A 2 2 MET CA C 1 53.382 55.224 -1.842 1
1 19 . 20 1 1 A 2 2 MET CB C 1 32.478 32.500 -0.022 1
1 22 . 20 1 1 A 2 2 MET N N 1 122.882 123.121 -0.239 1
1 23 . 20 1 1 A 3 3 PRO HA H 2 4.425 4.373 0.052 1
1 30 . 20 1 1 A 3 3 PRO C C 2 176.847 176.540 0.307 1
1 31 . 20 1 1 A 3 3 PRO CA C 2 63.386 65.974 -2.588 1
1 32 . 20 1 1 A 3 3 PRO CB C 2 32.077 31.483 0.594 1
1 35 . 20 1 1 A 4 4 SER H H 3 8.347 7.837 0.510 1
1 36 . 20 1 1 A 4 4 SER HA H 3 4.391 4.850 -0.459 1
1 39 . 20 1 1 A 4 4 SER C C 3 174.643 173.923 0.720 1
1 40 . 20 1 1 A 4 4 SER CA C 3 58.336 56.747 1.589 1
1 41 . 20 1 1 A 4 4 SER CB C 3 63.798 65.628 -1.830 1
1 42 . 20 1 1 A 4 4 SER N N 3 115.234 110.904 4.330 1
1 43 . 20 1 1 A 5 5 GLU H H 4 8.472 9.122 -0.650 1
1 44 . 20 1 1 A 5 5 GLU HA H 4 4.297 4.924 -0.627 1
1 49 . 20 1 1 A 5 5 GLU C C 4 176.352 175.215 1.137 1
1 50 . 20 1 1 A 5 5 GLU CA C 4 56.572 54.224 2.348 1
1 51 . 20 1 1 A 5 5 GLU CB C 4 30.285 32.888 -2.603 1
1 53 . 20 1 1 A 5 5 GLU N N 4 123.045 117.625 5.420 1
1 54 . 20 1 1 A 6 6 LYS H H 5 8.214 8.288 -0.074 1
1 55 . 20 1 1 A 6 6 LYS HA H 5 4.500 4.609 -0.109 1
1 64 . 20 1 1 A 6 6 LYS C C 5 177.243 176.387 0.856 1
1 65 . 20 1 1 A 6 6 LYS CA C 5 55.943 55.606 0.337 1
1 66 . 20 1 1 A 6 6 LYS CB C 5 34.621 33.946 0.675 1
1 70 . 20 1 1 A 6 6 LYS N N 5 121.467 120.637 0.830 1
1 71 . 20 1 1 A 7 7 THR H H 6 8.431 8.687 -0.256 1
1 72 . 20 1 1 A 7 7 THR HA H 6 4.383 4.768 -0.385 1
1 77 . 20 1 1 A 7 7 THR C C 6 175.360 176.273 -0.913 1
1 78 . 20 1 1 A 7 7 THR CA C 6 61.124 60.042 1.082 1
1 79 . 20 1 1 A 7 7 THR CB C 6 69.863 71.307 -1.444 1
1 81 . 20 1 1 A 7 7 THR N N 6 114.691 111.920 2.771 1
1 82 . 20 1 1 A 8 8 PHE H H 7 10.194 8.975 1.219 1
1 83 . 20 1 1 A 8 8 PHE HA H 7 3.904 4.173 -0.269 1
1 88 . 20 1 1 A 8 8 PHE C C 7 177.000 177.798 -0.798 1
1 89 . 20 1 1 A 8 8 PHE CA C 7 63.388 61.133 2.255 1
1 90 . 20 1 1 A 8 8 PHE CB C 7 39.586 38.913 0.673 1
1 92 . 20 1 1 A 8 8 PHE N N 7 124.861 123.369 1.492 1
1 93 . 20 1 1 A 9 9 LYS H H 8 8.707 8.338 0.369 1
1 94 . 20 1 1 A 9 9 LYS HA H 8 3.761 4.198 -0.437 1
1 103 . 20 1 1 A 9 9 LYS C C 8 177.496 178.991 -1.495 1
1 104 . 20 1 1 A 9 9 LYS CA C 8 59.945 59.217 0.728 1
1 105 . 20 1 1 A 9 9 LYS CB C 8 33.870 32.333 1.537 1
1 109 . 20 1 1 A 9 9 LYS N N 8 114.189 118.071 -3.882 1
1 110 . 20 1 1 A 10 10 GLN H H 9 7.284 8.117 -0.833 1
1 111 . 20 1 1 A 10 10 GLN HA H 9 4.113 4.102 0.011 1
1 118 . 20 1 1 A 10 10 GLN C C 9 177.416 178.097 -0.681 1
1 119 . 20 1 1 A 10 10 GLN CA C 9 56.743 58.939 -2.196 1
1 120 . 20 1 1 A 10 10 GLN CB C 9 30.002 28.454 1.548 1
1 123 . 20 1 1 A 10 10 GLN N N 9 112.843 119.418 -6.575 1
1 125 . 20 1 1 A 11 11 ARG H H 10 7.889 8.506 -0.617 1
1 126 . 20 1 1 A 11 11 ARG HA H 10 4.255 3.991 0.264 1
1 133 . 20 1 1 A 11 11 ARG C C 10 175.059 176.466 -1.407 1
1 134 . 20 1 1 A 11 11 ARG CA C 10 57.018 59.610 -2.592 1
1 135 . 20 1 1 A 11 11 ARG CB C 10 31.628 30.412 1.216 1
1 138 . 20 1 1 A 11 11 ARG N N 10 117.567 120.698 -3.131 1
1 139 . 20 1 1 A 12 12 ARG H H 11 7.443 7.676 -0.233 1
1 140 . 20 1 1 A 12 12 ARG HA H 11 4.493 4.413 0.080 1
1 147 . 20 1 1 A 12 12 ARG CA C 11 54.172 55.864 -1.692 1
1 148 . 20 1 1 A 12 12 ARG CB C 11 32.857 30.780 2.077 1
1 151 . 20 1 1 A 12 12 ARG N N 11 122.786 119.429 3.357 1
1 152 . 20 1 1 A 13 13 SER HA H 12 4.403 4.456 -0.053 1
1 155 . 20 1 1 A 13 13 SER C C 12 174.222 175.583 -1.361 1
1 156 . 20 1 1 A 13 13 SER CA C 12 58.274 60.028 -1.754 1
1 157 . 20 1 1 A 13 13 SER CB C 12 64.821 63.437 1.384 1
1 158 . 20 1 1 A 14 14 PHE H H 13 9.239 9.296 -0.057 1
1 159 . 20 1 1 A 14 14 PHE HA H 13 4.035 4.127 -0.092 1
1 165 . 20 1 1 A 14 14 PHE C C 13 176.023 177.316 -1.293 1
1 166 . 20 1 1 A 14 14 PHE CA C 13 62.790 62.653 0.137 1
1 167 . 20 1 1 A 14 14 PHE CB C 13 39.580 39.674 -0.094 1
1 169 . 20 1 1 A 14 14 PHE N N 13 123.729 126.901 -3.172 1
1 170 . 20 1 1 A 15 15 GLU H H 14 9.093 8.545 0.548 1
1 171 . 20 1 1 A 15 15 GLU HA H 14 3.813 3.953 -0.140 1
1 176 . 20 1 1 A 15 15 GLU C C 14 179.549 179.062 0.487 1
1 177 . 20 1 1 A 15 15 GLU CA C 14 60.444 60.060 0.384 1
1 178 . 20 1 1 A 15 15 GLU CB C 14 28.804 29.219 -0.415 1
1 180 . 20 1 1 A 15 15 GLU N N 14 115.336 118.834 -3.498 1
1 181 . 20 1 1 A 16 16 GLN H H 15 7.752 8.378 -0.626 1
1 182 . 20 1 1 A 16 16 GLN HA H 15 4.044 4.061 -0.017 1
1 189 . 20 1 1 A 16 16 GLN C C 15 177.931 178.631 -0.700 1
1 190 . 20 1 1 A 16 16 GLN CA C 15 58.486 59.025 -0.539 1
1 191 . 20 1 1 A 16 16 GLN CB C 15 29.393 28.561 0.832 1
1 194 . 20 1 1 A 16 16 GLN N N 15 119.145 119.139 0.006 1
1 196 . 20 1 1 A 17 17 ARG H H 16 8.577 8.265 0.312 1
1 197 . 20 1 1 A 17 17 ARG HA H 16 4.280 4.210 0.070 1
1 202 . 20 1 1 A 17 17 ARG C C 16 177.128 178.977 -1.849 1
1 203 . 20 1 1 A 17 17 ARG CA C 16 61.442 58.809 2.633 1
1 204 . 20 1 1 A 17 17 ARG N N 16 121.288 119.116 2.172 1
1 205 . 20 1 1 A 18 18 VAL H H 17 8.329 8.198 0.131 1
1 206 . 20 1 1 A 18 18 VAL HA H 17 3.938 3.593 0.345 1
1 214 . 20 1 1 A 18 18 VAL C C 17 179.744 178.162 1.582 1
1 215 . 20 1 1 A 18 18 VAL CA C 17 65.441 66.637 -1.196 1
1 216 . 20 1 1 A 18 18 VAL CB C 17 32.080 31.252 0.828 1
1 219 . 20 1 1 A 18 18 VAL N N 17 116.752 120.404 -3.652 1
1 220 . 20 1 1 A 19 19 GLU H H 18 7.445 7.828 -0.383 1
1 221 . 20 1 1 A 19 19 GLU HA H 18 4.270 4.031 0.239 1
1 226 . 20 1 1 A 19 19 GLU C C 18 177.625 178.499 -0.874 1
1 227 . 20 1 1 A 19 19 GLU CA C 18 58.637 59.109 -0.472 1
1 228 . 20 1 1 A 19 19 GLU CB C 18 29.398 29.140 0.258 1
1 230 . 20 1 1 A 19 19 GLU N N 18 120.323 120.175 0.148 1
1 231 . 20 1 1 A 20 20 ASP H H 19 8.690 8.471 0.219 1
1 232 . 20 1 1 A 20 20 ASP HA H 19 4.514 4.382 0.132 1
1 235 . 20 1 1 A 20 20 ASP C C 19 179.877 178.210 1.667 1
1 236 . 20 1 1 A 20 20 ASP CA C 19 57.224 58.022 -0.798 1
1 237 . 20 1 1 A 20 20 ASP CB C 19 41.487 41.919 -0.432 1
1 238 . 20 1 1 A 20 20 ASP N N 19 120.313 120.846 -0.533 1
1 239 . 20 1 1 A 21 21 VAL H H 20 7.731 8.099 -0.368 1
1 240 . 20 1 1 A 21 21 VAL HA H 20 3.394 3.480 -0.086 1
1 248 . 20 1 1 A 21 21 VAL C C 20 176.989 178.042 -1.053 1
1 249 . 20 1 1 A 21 21 VAL CA C 20 65.989 65.474 0.515 1
1 250 . 20 1 1 A 21 21 VAL CB C 20 31.291 30.915 0.376 1
1 253 . 20 1 1 A 21 21 VAL N N 20 119.119 118.374 0.745 1
1 254 . 20 1 1 A 22 22 ARG H H 21 8.313 7.790 0.523 1
1 255 . 20 1 1 A 22 22 ARG HA H 21 3.825 3.972 -0.147 1
1 263 . 20 1 1 A 22 22 ARG C C 21 180.178 178.324 1.854 1
1 264 . 20 1 1 A 22 22 ARG CA C 21 59.821 59.108 0.713 1
1 265 . 20 1 1 A 22 22 ARG CB C 21 30.164 29.975 0.189 1
1 269 . 20 1 1 A 22 22 ARG N N 21 120.772 121.761 -0.989 1
1 271 . 20 1 1 A 23 23 LEU H H 22 8.306 7.965 0.341 1
1 272 . 20 1 1 A 23 23 LEU HA H 22 4.076 4.023 0.053 1
1 282 . 20 1 1 A 23 23 LEU C C 22 180.221 179.815 0.406 1
1 283 . 20 1 1 A 23 23 LEU CA C 22 57.541 58.011 -0.470 1
1 284 . 20 1 1 A 23 23 LEU CB C 22 42.300 41.973 0.327 1
1 288 . 20 1 1 A 23 23 LEU N N 22 116.413 119.123 -2.710 1
1 289 . 20 1 1 A 24 24 ILE H H 23 7.864 8.227 -0.363 1
1 290 . 20 1 1 A 24 24 ILE HA H 23 4.090 3.800 0.290 1
1 300 . 20 1 1 A 24 24 ILE C C 23 177.922 178.506 -0.584 1
1 301 . 20 1 1 A 24 24 ILE CA C 23 60.190 63.942 -3.752 1
1 302 . 20 1 1 A 24 24 ILE CB C 23 38.072 37.209 0.863 1
1 306 . 20 1 1 A 24 24 ILE N N 23 121.259 119.366 1.893 1
1 307 . 20 1 1 A 25 25 ARG H H 24 8.339 8.352 -0.013 1
1 308 . 20 1 1 A 25 25 ARG HA H 24 3.973 3.993 -0.020 1
1 316 . 20 1 1 A 25 25 ARG C C 24 178.479 178.193 0.286 1
1 317 . 20 1 1 A 25 25 ARG CA C 24 57.337 59.296 -1.959 1
1 318 . 20 1 1 A 25 25 ARG CB C 24 28.663 29.976 -1.313 1
1 322 . 20 1 1 A 25 25 ARG N N 24 121.816 122.161 -0.345 1
1 324 . 20 1 1 A 26 26 GLU H H 25 7.133 7.983 -0.850 1
1 325 . 20 1 1 A 26 26 GLU HA H 25 4.052 4.280 -0.228 1
1 330 . 20 1 1 A 26 26 GLU C C 25 178.158 178.239 -0.081 1
1 331 . 20 1 1 A 26 26 GLU CA C 25 58.367 57.980 0.387 1
1 332 . 20 1 1 A 26 26 GLU CB C 25 29.903 30.303 -0.400 1
1 334 . 20 1 1 A 26 26 GLU N N 25 116.794 117.523 -0.729 1
1 335 . 20 1 1 A 27 27 GLN H H 26 7.283 8.229 -0.946 1
1 336 . 20 1 1 A 27 27 GLN HA H 26 3.888 4.304 -0.416 1
1 343 . 20 1 1 A 27 27 GLN C C 26 176.088 175.862 0.226 1
1 344 . 20 1 1 A 27 27 GLN CA C 26 57.676 57.592 0.084 1
1 345 . 20 1 1 A 27 27 GLN CB C 26 30.382 29.998 0.384 1
1 348 . 20 1 1 A 27 27 GLN N N 26 116.373 118.241 -1.868 1
1 350 . 20 1 1 A 28 28 HIS H H 27 8.223 8.594 -0.371 1
1 351 . 20 1 1 A 28 28 HIS HA H 27 4.941 5.083 -0.142 1
1 356 . 20 1 1 A 28 28 HIS CA C 27 53.278 53.041 0.237 1
1 357 . 20 1 1 A 28 28 HIS CB C 27 30.933 29.708 1.225 1
1 360 . 20 1 1 A 28 28 HIS N N 27 115.408 116.090 -0.682 1
1 361 . 20 1 1 A 29 29 PRO HA H 28 4.562 4.352 0.210 1
1 368 . 20 1 1 A 29 29 PRO C C 28 178.046 177.555 0.491 1
1 369 . 20 1 1 A 29 29 PRO CA C 28 64.821 64.587 0.234 1
1 370 . 20 1 1 A 29 29 PRO CB C 28 32.447 32.017 0.430 1
1 373 . 20 1 1 A 30 30 THR H H 29 7.820 7.803 0.017 1
1 374 . 20 1 1 A 30 30 THR HA H 29 4.583 4.361 0.222 1
1 379 . 20 1 1 A 30 30 THR C C 29 172.723 173.358 -0.635 1
1 380 . 20 1 1 A 30 30 THR CA C 29 60.826 61.500 -0.674 1
1 381 . 20 1 1 A 30 30 THR CB C 29 68.641 68.818 -0.177 1
1 383 . 20 1 1 A 30 30 THR N N 29 106.682 107.816 -1.134 1
1 384 . 20 1 1 A 31 31 LYS H H 30 7.453 7.526 -0.073 1
1 385 . 20 1 1 A 31 31 LYS HA H 30 4.850 4.811 0.039 1
1 394 . 20 1 1 A 31 31 LYS C C 30 174.296 174.724 -0.428 1
1 395 . 20 1 1 A 31 31 LYS CA C 30 53.944 54.656 -0.712 1
1 396 . 20 1 1 A 31 31 LYS CB C 30 36.098 37.031 -0.933 1
1 400 . 20 1 1 A 31 31 LYS N N 30 117.809 120.515 -2.706 1
1 401 . 20 1 1 A 32 32 ILE H H 31 9.265 9.389 -0.124 1
1 402 . 20 1 1 A 32 32 ILE HA H 31 4.106 4.231 -0.125 1
1 412 . 20 1 1 A 32 32 ILE CA C 31 54.606 57.650 -3.044 1
1 413 . 20 1 1 A 32 32 ILE CB C 31 38.448 38.400 0.048 1
1 417 . 20 1 1 A 32 32 ILE N N 31 122.497 122.656 -0.159 1
1 418 . 20 1 1 A 33 33 PRO HA H 32 5.252 4.823 0.429 1
1 425 . 20 1 1 A 33 33 PRO C C 32 174.652 176.617 -1.965 1
1 426 . 20 1 1 A 33 33 PRO CA C 32 61.704 62.428 -0.724 1
1 427 . 20 1 1 A 33 33 PRO CB C 32 31.873 31.945 -0.072 1
1 430 . 20 1 1 A 34 34 VAL H H 33 9.359 8.081 1.278 1
1 431 . 20 1 1 A 34 34 VAL HA H 33 5.298 5.066 0.232 1
1 439 . 20 1 1 A 34 34 VAL C C 33 173.633 174.788 -1.155 1
1 440 . 20 1 1 A 34 34 VAL CA C 33 59.830 59.549 0.281 1
1 441 . 20 1 1 A 34 34 VAL CB C 33 36.154 36.360 -0.206 1
1 444 . 20 1 1 A 34 34 VAL N N 33 124.496 116.546 7.950 1
1 445 . 20 1 1 A 35 35 ILE H H 34 8.667 9.250 -0.583 1
1 446 . 20 1 1 A 35 35 ILE HA H 34 4.867 4.752 0.115 1
1 456 . 20 1 1 A 35 35 ILE C C 34 175.770 175.032 0.738 1
1 457 . 20 1 1 A 35 35 ILE CA C 34 56.320 60.297 -3.977 1
1 458 . 20 1 1 A 35 35 ILE CB C 34 36.909 39.638 -2.729 1
1 462 . 20 1 1 A 35 35 ILE N N 34 127.447 122.096 5.351 1
1 463 . 20 1 1 A 36 36 ILE H H 35 8.422 9.163 -0.741 1
1 464 . 20 1 1 A 36 36 ILE HA H 35 4.890 4.499 0.391 1
1 474 . 20 1 1 A 36 36 ILE C C 35 175.098 175.969 -0.871 1
1 475 . 20 1 1 A 36 36 ILE CA C 35 60.806 61.081 -0.275 1
1 476 . 20 1 1 A 36 36 ILE CB C 35 39.357 37.166 2.191 1
1 480 . 20 1 1 A 36 36 ILE N N 35 124.267 129.126 -4.859 1
1 481 . 20 1 1 A 37 37 GLU H H 36 8.335 8.931 -0.596 1
1 482 . 20 1 1 A 37 37 GLU HA H 36 4.820 4.934 -0.114 1
1 487 . 20 1 1 A 37 37 GLU C C 36 173.502 175.887 -2.385 1
1 488 . 20 1 1 A 37 37 GLU CA C 36 54.214 54.237 -0.023 1
1 489 . 20 1 1 A 37 37 GLU CB C 36 35.547 33.096 2.451 1
1 491 . 20 1 1 A 37 37 GLU N N 36 123.296 126.562 -3.266 1
1 492 . 20 1 1 A 38 38 ARG H H 37 8.891 8.322 0.569 1
1 493 . 20 1 1 A 38 38 ARG HA H 37 2.755 3.195 -0.440 1
1 501 . 20 1 1 A 38 38 ARG C C 37 176.165 175.378 0.787 1
1 502 . 20 1 1 A 38 38 ARG CA C 37 56.235 55.928 0.307 1
1 503 . 20 1 1 A 38 38 ARG CB C 37 31.328 30.201 1.127 1
1 507 . 20 1 1 A 38 38 ARG N N 37 123.143 122.056 1.087 1
1 509 . 20 1 1 A 39 39 TYR H H 38 8.681 8.258 0.423 1
1 510 . 20 1 1 A 39 39 TYR HA H 38 4.331 4.403 -0.072 1
1 517 . 20 1 1 A 39 39 TYR C C 38 177.064 175.631 1.433 1
1 518 . 20 1 1 A 39 39 TYR CA C 38 57.769 59.083 -1.314 1
1 519 . 20 1 1 A 39 39 TYR CB C 38 39.552 39.068 0.484 1
1 522 . 20 1 1 A 39 39 TYR N N 38 128.699 122.999 5.700 1
1 523 . 20 1 1 A 40 40 LYS H H 39 8.454 8.126 0.328 1
1 524 . 20 1 1 A 40 40 LYS HA H 39 3.841 3.550 0.291 1
1 533 . 20 1 1 A 40 40 LYS C C 39 176.290 176.709 -0.419 1
1 534 . 20 1 1 A 40 40 LYS CA C 39 58.772 57.709 1.063 1
1 535 . 20 1 1 A 40 40 LYS CB C 39 31.738 31.506 0.232 1
1 539 . 20 1 1 A 40 40 LYS N N 39 130.022 125.007 5.015 1
1 540 . 20 1 1 A 41 41 GLY H H 40 5.457 8.836 -3.379 1
1 541 . 20 1 1 A 41 41 GLY HA2 H 40 3.306 3.915 -0.609 1
1 542 . 20 1 1 A 41 41 GLY HA3 H 40 3.999 3.917 0.082 1
1 543 . 20 1 1 A 41 41 GLY C C 40 173.426 174.425 -0.999 1
1 544 . 20 1 1 A 41 41 GLY CA C 40 44.673 44.938 -0.265 1
1 545 . 20 1 1 A 41 41 GLY N N 40 104.628 112.598 -7.970 1
1 546 . 20 1 1 A 42 42 GLU H H 41 7.440 8.452 -1.012 1
1 547 . 20 1 1 A 42 42 GLU HA H 41 4.278 4.532 -0.254 1
1 552 . 20 1 1 A 42 42 GLU C C 41 176.306 176.551 -0.245 1
1 553 . 20 1 1 A 42 42 GLU CA C 41 56.358 55.874 0.484 1
1 554 . 20 1 1 A 42 42 GLU CB C 41 31.014 29.415 1.599 1
1 556 . 20 1 1 A 42 42 GLU N N 41 122.648 121.232 1.416 1
1 557 . 20 1 1 A 43 43 LYS H H 42 8.912 8.523 0.389 1
1 558 . 20 1 1 A 43 43 LYS HA H 42 4.680 4.640 0.040 1
1 567 . 20 1 1 A 43 43 LYS C C 42 177.063 178.645 -1.582 1
1 568 . 20 1 1 A 43 43 LYS CA C 42 55.652 56.778 -1.126 1
1 569 . 20 1 1 A 43 43 LYS CB C 42 34.871 34.102 0.769 1
1 573 . 20 1 1 A 43 43 LYS N N 42 123.569 123.047 0.522 1
1 574 . 20 1 1 A 44 44 GLN H H 43 8.446 7.963 0.483 1
1 575 . 20 1 1 A 44 44 GLN HA H 43 4.545 4.192 0.353 1
1 582 . 20 1 1 A 44 44 GLN C C 43 177.152 177.077 0.075 1
1 583 . 20 1 1 A 44 44 GLN CA C 43 57.561 58.484 -0.923 1
1 584 . 20 1 1 A 44 44 GLN CB C 43 30.671 28.538 2.133 1
1 587 . 20 1 1 A 44 44 GLN N N 43 118.990 118.178 0.812 1
1 589 . 20 1 1 A 45 45 LEU H H 44 9.043 8.547 0.496 1
1 590 . 20 1 1 A 45 45 LEU HA H 44 4.716 4.508 0.208 1
1 600 . 20 1 1 A 45 45 LEU CA C 44 53.078 53.964 -0.886 1
1 601 . 20 1 1 A 45 45 LEU CB C 44 43.614 41.249 2.365 1
1 605 . 20 1 1 A 45 45 LEU N N 44 120.375 120.386 -0.011 1
1 606 . 20 1 1 A 46 46 PRO HA H 45 4.723 4.655 0.068 1
1 613 . 20 1 1 A 46 46 PRO C C 45 175.883 176.735 -0.852 1
1 614 . 20 1 1 A 46 46 PRO CA C 45 62.005 62.336 -0.331 1
1 615 . 20 1 1 A 46 46 PRO CB C 45 32.609 33.283 -0.674 1
1 618 . 20 1 1 A 47 47 VAL H H 46 8.437 8.657 -0.220 1
1 619 . 20 1 1 A 47 47 VAL HA H 46 3.914 4.469 -0.555 1
1 627 . 20 1 1 A 47 47 VAL C C 46 175.367 175.934 -0.567 1
1 628 . 20 1 1 A 47 47 VAL CA C 46 62.700 61.785 0.915 1
1 629 . 20 1 1 A 47 47 VAL CB C 46 32.927 31.652 1.275 1
1 632 . 20 1 1 A 47 47 VAL N N 46 118.440 119.136 -0.696 1
1 633 . 20 1 1 A 48 48 LEU H H 47 7.863 8.062 -0.199 1
1 634 . 20 1 1 A 48 48 LEU HA H 47 4.384 4.287 0.097 1
1 644 . 20 1 1 A 48 48 LEU C C 47 176.088 177.045 -0.957 1
1 645 . 20 1 1 A 48 48 LEU CA C 47 54.851 56.871 -2.020 1
1 646 . 20 1 1 A 48 48 LEU CB C 47 43.841 41.480 2.361 1
1 650 . 20 1 1 A 48 48 LEU N N 47 129.127 121.980 7.147 1
1 651 . 20 1 1 A 49 49 ASP H H 48 8.699 8.816 -0.117 1
1 652 . 20 1 1 A 49 49 ASP HA H 48 4.293 4.608 -0.315 1
1 655 . 20 1 1 A 49 49 ASP C C 48 175.121 175.883 -0.762 1
1 656 . 20 1 1 A 49 49 ASP CA C 48 55.717 55.646 0.071 1
1 657 . 20 1 1 A 49 49 ASP CB C 48 40.260 41.444 -1.184 1
1 658 . 20 1 1 A 49 49 ASP N N 48 121.389 123.450 -2.061 1
1 659 . 20 1 1 A 50 50 LYS H H 49 7.251 7.509 -0.258 1
1 660 . 20 1 1 A 50 50 LYS HA H 49 4.540 4.527 0.013 1
1 669 . 20 1 1 A 50 50 LYS C C 49 174.664 175.207 -0.543 1
1 670 . 20 1 1 A 50 50 LYS CA C 49 53.211 55.145 -1.934 1
1 671 . 20 1 1 A 50 50 LYS CB C 49 35.514 34.246 1.268 1
1 675 . 20 1 1 A 50 50 LYS N N 49 118.260 114.284 3.976 1
1 676 . 20 1 1 A 51 51 THR H H 50 8.162 8.321 -0.159 1
1 677 . 20 1 1 A 51 51 THR HA H 50 4.685 4.688 -0.003 1
1 682 . 20 1 1 A 51 51 THR C C 50 171.631 174.587 -2.956 1
1 683 . 20 1 1 A 51 51 THR CA C 50 63.581 63.194 0.387 1
1 684 . 20 1 1 A 51 51 THR CB C 50 71.587 70.034 1.553 1
1 686 . 20 1 1 A 51 51 THR N N 50 112.535 113.487 -0.952 1
1 687 . 20 1 1 A 52 52 LYS H H 51 6.971 7.526 -0.555 1
1 688 . 20 1 1 A 52 52 LYS HA H 51 4.443 4.847 -0.404 1
1 697 . 20 1 1 A 52 52 LYS C C 51 175.417 176.091 -0.674 1
1 698 . 20 1 1 A 52 52 LYS CA C 51 55.209 55.519 -0.310 1
1 699 . 20 1 1 A 52 52 LYS CB C 51 33.309 34.147 -0.838 1
1 703 . 20 1 1 A 52 52 LYS N N 51 120.227 119.475 0.752 1
1 704 . 20 1 1 A 53 53 PHE H H 52 9.688 8.890 0.798 1
1 705 . 20 1 1 A 53 53 PHE HA H 52 5.675 5.029 0.646 1
1 712 . 20 1 1 A 53 53 PHE C C 52 174.348 174.911 -0.563 1
1 713 . 20 1 1 A 53 53 PHE CA C 52 56.625 56.495 0.130 1
1 714 . 20 1 1 A 53 53 PHE CB C 52 43.109 43.513 -0.404 1
1 716 . 20 1 1 A 53 53 PHE N N 52 124.646 120.621 4.025 1
1 717 . 20 1 1 A 54 54 LEU H H 53 8.470 9.110 -0.640 1
1 718 . 20 1 1 A 54 54 LEU HA H 53 5.044 4.797 0.247 1
1 728 . 20 1 1 A 54 54 LEU C C 53 176.144 175.811 0.333 1
1 729 . 20 1 1 A 54 54 LEU CA C 53 52.954 53.592 -0.638 1
1 730 . 20 1 1 A 54 54 LEU CB C 53 45.081 43.244 1.837 1
1 734 . 20 1 1 A 54 54 LEU N N 53 119.430 122.310 -2.880 1
1 735 . 20 1 1 A 55 55 VAL H H 54 8.802 8.590 0.212 1
1 736 . 20 1 1 A 55 55 VAL HA H 54 4.640 4.515 0.125 1
1 744 . 20 1 1 A 55 55 VAL CA C 54 58.549 59.024 -0.475 1
1 745 . 20 1 1 A 55 55 VAL CB C 54 35.342 32.113 3.229 1
1 748 . 20 1 1 A 55 55 VAL N N 54 123.841 125.655 -1.814 1
1 749 . 20 1 1 A 56 56 PRO HA H 55 4.439 4.550 -0.111 1
1 756 . 20 1 1 A 56 56 PRO C C 55 176.666 176.213 0.453 1
1 757 . 20 1 1 A 56 56 PRO CA C 55 64.256 62.358 1.898 1
1 758 . 20 1 1 A 56 56 PRO CB C 55 32.783 31.988 0.795 1
1 761 . 20 1 1 A 57 57 ASP H H 56 8.412 7.800 0.612 1
1 762 . 20 1 1 A 57 57 ASP HA H 56 3.848 4.489 -0.641 1
1 765 . 20 1 1 A 57 57 ASP C C 56 175.417 176.537 -1.120 1
1 766 . 20 1 1 A 57 57 ASP CA C 56 56.616 53.759 2.857 1
1 767 . 20 1 1 A 57 57 ASP CB C 56 40.410 39.960 0.450 1
1 768 . 20 1 1 A 57 57 ASP N N 56 120.415 121.418 -1.003 1
1 769 . 20 1 1 A 58 58 HIS H H 57 7.373 7.520 -0.147 1
1 770 . 20 1 1 A 58 58 HIS HA H 57 4.770 4.813 -0.043 1
1 775 . 20 1 1 A 58 58 HIS C C 57 176.594 174.064 2.530 1
1 776 . 20 1 1 A 58 58 HIS CA C 57 55.584 55.142 0.442 1
1 777 . 20 1 1 A 58 58 HIS CB C 57 30.628 31.001 -0.373 1
1 780 . 20 1 1 A 58 58 HIS N N 57 113.439 114.214 -0.775 1
1 781 . 20 1 1 A 59 59 VAL H H 58 7.249 7.499 -0.250 1
1 782 . 20 1 1 A 59 59 VAL HA H 58 3.903 4.856 -0.953 1
1 790 . 20 1 1 A 59 59 VAL C C 58 175.014 173.802 1.212 1
1 791 . 20 1 1 A 59 59 VAL CA C 58 62.726 58.950 3.776 1
1 792 . 20 1 1 A 59 59 VAL CB C 58 32.190 36.171 -3.981 1
1 795 . 20 1 1 A 59 59 VAL N N 58 122.597 115.589 7.008 1
1 796 . 20 1 1 A 60 60 ASN H H 59 8.677 8.284 0.393 1
1 797 . 20 1 1 A 60 60 ASN HA H 59 5.187 5.170 0.017 1
1 802 . 20 1 1 A 60 60 ASN C C 59 176.477 176.744 -0.267 1
1 803 . 20 1 1 A 60 60 ASN CA C 59 51.181 51.154 0.027 1
1 804 . 20 1 1 A 60 60 ASN CB C 59 39.947 41.827 -1.880 1
1 806 . 20 1 1 A 60 60 ASN N N 59 122.962 117.714 5.248 1
1 808 . 20 1 1 A 61 61 MET H H 60 8.038 8.594 -0.556 1
1 809 . 20 1 1 A 61 61 MET HA H 60 4.426 4.218 0.208 1
1 817 . 20 1 1 A 61 61 MET C C 60 177.996 178.363 -0.367 1
1 818 . 20 1 1 A 61 61 MET CA C 60 57.118 58.048 -0.930 1
1 819 . 20 1 1 A 61 61 MET CB C 60 29.998 32.148 -2.150 1
1 822 . 20 1 1 A 61 61 MET N N 60 116.814 118.846 -2.032 1
1 823 . 20 1 1 A 62 62 SER H H 61 8.401 8.211 0.190 1
1 824 . 20 1 1 A 62 62 SER HA H 61 4.132 4.215 -0.083 1
1 827 . 20 1 1 A 62 62 SER C C 61 177.255 177.244 0.011 1
1 828 . 20 1 1 A 62 62 SER CA C 61 61.559 61.498 0.061 1
1 829 . 20 1 1 A 62 62 SER CB C 61 62.430 62.847 -0.417 1
1 830 . 20 1 1 A 62 62 SER N N 61 114.109 115.960 -1.851 1
1 831 . 20 1 1 A 63 63 GLU H H 62 8.014 8.300 -0.286 1
1 832 . 20 1 1 A 63 63 GLU HA H 62 4.016 4.040 -0.024 1
1 837 . 20 1 1 A 63 63 GLU C C 62 178.327 178.691 -0.364 1
1 838 . 20 1 1 A 63 63 GLU CA C 62 58.787 59.398 -0.611 1
1 839 . 20 1 1 A 63 63 GLU CB C 62 29.814 29.534 0.280 1
1 841 . 20 1 1 A 63 63 GLU N N 62 122.806 122.178 0.628 1
1 842 . 20 1 1 A 64 64 LEU H H 63 8.254 8.117 0.137 1
1 843 . 20 1 1 A 64 64 LEU HA H 63 3.932 3.977 -0.045 1
1 853 . 20 1 1 A 64 64 LEU C C 63 178.029 178.476 -0.447 1
1 854 . 20 1 1 A 64 64 LEU CA C 63 57.986 57.619 0.367 1
1 855 . 20 1 1 A 64 64 LEU CB C 63 41.377 41.995 -0.618 1
1 859 . 20 1 1 A 64 64 LEU N N 63 120.526 121.697 -1.171 1
1 860 . 20 1 1 A 65 65 ILE H H 64 8.415 7.943 0.472 1
1 861 . 20 1 1 A 65 65 ILE HA H 64 3.377 3.878 -0.501 1
1 871 . 20 1 1 A 65 65 ILE C C 64 177.078 178.220 -1.142 1
1 872 . 20 1 1 A 65 65 ILE CA C 64 66.699 65.283 1.416 1
1 873 . 20 1 1 A 65 65 ILE CB C 64 38.128 38.091 0.037 1
1 877 . 20 1 1 A 65 65 ILE N N 64 118.349 118.739 -0.390 1
1 878 . 20 1 1 A 66 66 LYS H H 65 7.366 8.181 -0.815 1
1 879 . 20 1 1 A 66 66 LYS HA H 65 3.696 4.063 -0.367 1
1 888 . 20 1 1 A 66 66 LYS C C 65 179.260 179.197 0.063 1
1 889 . 20 1 1 A 66 66 LYS CA C 65 60.593 58.845 1.748 1
1 890 . 20 1 1 A 66 66 LYS CB C 65 32.421 31.971 0.450 1
1 894 . 20 1 1 A 66 66 LYS N N 65 118.334 118.888 -0.554 1
1 895 . 20 1 1 A 67 67 ILE H H 66 8.179 8.228 -0.049 1
1 896 . 20 1 1 A 67 67 ILE HA H 66 3.546 3.683 -0.137 1
1 906 . 20 1 1 A 67 67 ILE C C 66 178.784 177.573 1.211 1
1 907 . 20 1 1 A 67 67 ILE CA C 66 65.488 65.010 0.478 1
1 908 . 20 1 1 A 67 67 ILE CB C 66 38.593 37.862 0.731 1
1 912 . 20 1 1 A 67 67 ILE N N 66 119.791 119.745 0.046 1
1 913 . 20 1 1 A 68 68 ILE H H 67 8.279 8.500 -0.221 1
1 914 . 20 1 1 A 68 68 ILE HA H 67 3.391 3.484 -0.093 1
1 924 . 20 1 1 A 68 68 ILE C C 67 177.403 177.750 -0.347 1
1 925 . 20 1 1 A 68 68 ILE CA C 67 63.144 65.239 -2.095 1
1 926 . 20 1 1 A 68 68 ILE CB C 67 35.269 37.456 -2.187 1
1 930 . 20 1 1 A 68 68 ILE N N 67 120.267 120.161 0.106 1
1 931 . 20 1 1 A 69 69 ARG H H 68 8.454 7.848 0.606 1
1 932 . 20 1 1 A 69 69 ARG HA H 68 2.966 3.313 -0.347 1
1 939 . 20 1 1 A 69 69 ARG C C 68 178.385 177.999 0.386 1
1 940 . 20 1 1 A 69 69 ARG CA C 68 60.642 58.429 2.213 1
1 941 . 20 1 1 A 69 69 ARG CB C 68 30.442 29.855 0.587 1
1 944 . 20 1 1 A 69 69 ARG N N 68 118.881 120.209 -1.328 1
1 945 . 20 1 1 A 70 70 ARG H H 69 7.492 7.475 0.017 1
1 946 . 20 1 1 A 70 70 ARG HA H 69 4.164 4.071 0.093 1
1 954 . 20 1 1 A 70 70 ARG C C 69 180.253 178.732 1.521 1
1 955 . 20 1 1 A 70 70 ARG CA C 69 58.510 59.134 -0.624 1
1 956 . 20 1 1 A 70 70 ARG CB C 69 29.587 29.591 -0.004 1
1 960 . 20 1 1 A 70 70 ARG N N 69 116.411 119.113 -2.702 1
1 962 . 20 1 1 A 71 71 ARG H H 70 8.086 8.040 0.046 1
1 963 . 20 1 1 A 71 71 ARG HA H 70 4.025 4.057 -0.032 1
1 970 . 20 1 1 A 71 71 ARG C C 70 178.558 178.223 0.335 1
1 971 . 20 1 1 A 71 71 ARG CA C 70 59.428 58.805 0.623 1
1 972 . 20 1 1 A 71 71 ARG CB C 70 30.235 29.856 0.379 1
1 975 . 20 1 1 A 71 71 ARG N N 70 122.779 119.032 3.747 1
1 976 . 20 1 1 A 72 72 LEU H H 71 7.755 7.721 0.034 1
1 977 . 20 1 1 A 72 72 LEU HA H 71 4.081 4.134 -0.053 1
1 987 . 20 1 1 A 72 72 LEU C C 71 174.852 176.567 -1.715 1
1 988 . 20 1 1 A 72 72 LEU CA C 71 55.060 55.363 -0.303 1
1 989 . 20 1 1 A 72 72 LEU CB C 71 43.109 41.975 1.134 1
1 993 . 20 1 1 A 72 72 LEU N N 71 116.551 117.862 -1.311 1
1 994 . 20 1 1 A 73 73 GLN H H 72 7.740 7.841 -0.101 1
1 995 . 20 1 1 A 73 73 GLN HA H 72 3.853 3.951 -0.098 1
1 1002 . 20 1 1 A 73 73 GLN C C 72 175.619 174.897 0.722 1
1 1003 . 20 1 1 A 73 73 GLN CA C 72 56.273 56.588 -0.315 1
1 1004 . 20 1 1 A 73 73 GLN CB C 72 25.939 26.434 -0.495 1
1 1007 . 20 1 1 A 73 73 GLN N N 72 114.737 117.878 -3.141 1
1 1009 . 20 1 1 A 74 74 LEU H H 73 7.525 7.924 -0.399 1
1 1010 . 20 1 1 A 74 74 LEU HA H 73 4.242 4.379 -0.137 1
1 1020 . 20 1 1 A 74 74 LEU C C 73 178.611 176.316 2.295 1
1 1021 . 20 1 1 A 74 74 LEU CA C 73 54.382 54.640 -0.258 1
1 1022 . 20 1 1 A 74 74 LEU CB C 73 41.995 42.259 -0.264 1
1 1026 . 20 1 1 A 74 74 LEU N N 73 114.861 120.743 -5.882 1
1 1027 . 20 1 1 A 75 75 ASN H H 74 8.970 8.656 0.314 1
1 1028 . 20 1 1 A 75 75 ASN HA H 74 4.694 5.023 -0.329 1
1 1033 . 20 1 1 A 75 75 ASN C C 74 176.527 176.209 0.318 1
1 1034 . 20 1 1 A 75 75 ASN CA C 74 52.686 51.649 1.037 1
1 1035 . 20 1 1 A 75 75 ASN CB C 74 39.583 41.134 -1.551 1
1 1037 . 20 1 1 A 75 75 ASN N N 74 121.274 118.936 2.338 1
1 1039 . 20 1 1 A 76 76 ALA H H 75 8.697 8.855 -0.158 1
1 1040 . 20 1 1 A 76 76 ALA HA H 75 3.966 3.999 -0.033 1
1 1044 . 20 1 1 A 76 76 ALA C C 75 178.002 179.686 -1.684 1
1 1045 . 20 1 1 A 76 76 ALA CA C 75 54.797 55.641 -0.844 1
1 1046 . 20 1 1 A 76 76 ALA CB C 75 18.669 18.129 0.540 1
1 1047 . 20 1 1 A 76 76 ALA N N 75 123.590 123.464 0.126 1
1 1048 . 20 1 1 A 77 77 ASN H H 76 8.344 8.100 0.244 1
1 1049 . 20 1 1 A 77 77 ASN HA H 76 4.585 4.442 0.143 1
1 1054 . 20 1 1 A 77 77 ASN C C 76 175.371 176.110 -0.739 1
1 1055 . 20 1 1 A 77 77 ASN CA C 76 53.183 56.283 -3.100 1
1 1056 . 20 1 1 A 77 77 ASN CB C 76 38.277 38.272 0.005 1
1 1058 . 20 1 1 A 77 77 ASN N N 76 112.004 116.404 -4.400 1
1 1060 . 20 1 1 A 78 78 GLN H H 77 7.532 8.007 -0.475 1
1 1061 . 20 1 1 A 78 78 GLN HA H 77 4.281 4.607 -0.326 1
1 1068 . 20 1 1 A 78 78 GLN C C 77 175.001 174.921 0.080 1
1 1069 . 20 1 1 A 78 78 GLN CA C 77 55.875 55.841 0.034 1
1 1070 . 20 1 1 A 78 78 GLN CB C 77 30.227 30.132 0.095 1
1 1073 . 20 1 1 A 78 78 GLN N N 77 120.237 119.087 1.150 1
1 1075 . 20 1 1 A 79 79 ALA H H 78 8.732 8.747 -0.015 1
1 1076 . 20 1 1 A 79 79 ALA HA H 78 4.183 5.442 -1.259 1
1 1080 . 20 1 1 A 79 79 ALA C C 78 176.367 175.376 0.991 1
1 1081 . 20 1 1 A 79 79 ALA CA C 78 52.798 50.066 2.732 1
1 1082 . 20 1 1 A 79 79 ALA CB C 78 20.051 22.602 -2.551 1
1 1083 . 20 1 1 A 79 79 ALA N N 78 130.399 128.290 2.109 1
1 1084 . 20 1 1 A 80 80 PHE H H 79 7.603 8.664 -1.061 1
1 1085 . 20 1 1 A 80 80 PHE HA H 79 4.449 5.226 -0.777 1
1 1093 . 20 1 1 A 80 80 PHE C C 79 171.709 173.070 -1.361 1
1 1094 . 20 1 1 A 80 80 PHE CA C 79 59.101 56.679 2.422 1
1 1095 . 20 1 1 A 80 80 PHE CB C 79 42.282 42.546 -0.264 1
1 1099 . 20 1 1 A 80 80 PHE N N 79 118.988 123.123 -4.135 1
1 1100 . 20 1 1 A 81 81 PHE H H 80 8.507 9.395 -0.888 1
1 1101 . 20 1 1 A 81 81 PHE HA H 80 4.421 4.534 -0.113 1
1 1109 . 20 1 1 A 81 81 PHE C C 80 172.644 173.815 -1.171 1
1 1110 . 20 1 1 A 81 81 PHE CA C 80 56.711 55.810 0.901 1
1 1111 . 20 1 1 A 81 81 PHE CB C 80 41.880 41.498 0.382 1
1 1115 . 20 1 1 A 81 81 PHE N N 80 126.042 125.947 0.095 1
1 1116 . 20 1 1 A 82 82 LEU H H 81 8.199 8.490 -0.291 1
1 1117 . 20 1 1 A 82 82 LEU HA H 81 4.883 4.887 -0.004 1
1 1127 . 20 1 1 A 82 82 LEU C C 81 174.440 174.454 -0.014 1
1 1128 . 20 1 1 A 82 82 LEU CA C 81 53.153 54.079 -0.926 1
1 1129 . 20 1 1 A 82 82 LEU CB C 81 45.520 43.928 1.592 1
1 1133 . 20 1 1 A 82 82 LEU N N 81 121.512 126.223 -4.711 1
1 1134 . 20 1 1 A 83 83 LEU H H 82 9.349 9.760 -0.411 1
1 1135 . 20 1 1 A 83 83 LEU HA H 82 4.810 5.123 -0.313 1
1 1145 . 20 1 1 A 83 83 LEU C C 82 177.075 175.564 1.511 1
1 1146 . 20 1 1 A 83 83 LEU CA C 82 54.122 53.829 0.293 1
1 1147 . 20 1 1 A 83 83 LEU CB C 82 43.394 43.000 0.394 1
1 1151 . 20 1 1 A 83 83 LEU N N 82 125.253 128.738 -3.485 1
1 1152 . 20 1 1 A 84 84 VAL H H 83 8.681 9.095 -0.414 1
1 1153 . 20 1 1 A 84 84 VAL HA H 83 4.411 4.180 0.231 1
1 1161 . 20 1 1 A 84 84 VAL C C 83 175.797 176.105 -0.308 1
1 1162 . 20 1 1 A 84 84 VAL CA C 83 61.630 61.632 -0.002 1
1 1163 . 20 1 1 A 84 84 VAL CB C 83 33.647 31.233 2.414 1
1 1166 . 20 1 1 A 84 84 VAL N N 83 123.543 125.275 -1.732 1
1 1167 . 20 1 1 A 85 85 ASN H H 84 9.622 9.079 0.543 1
1 1168 . 20 1 1 A 85 85 ASN HA H 84 4.399 4.529 -0.130 1
1 1173 . 20 1 1 A 85 85 ASN C C 84 175.042 174.982 0.060 1
1 1174 . 20 1 1 A 85 85 ASN CA C 84 54.610 54.226 0.384 1
1 1175 . 20 1 1 A 85 85 ASN CB C 84 37.927 36.911 1.016 1
1 1177 . 20 1 1 A 85 85 ASN N N 84 125.848 127.153 -1.305 1
1 1179 . 20 1 1 A 86 86 GLY H H 85 8.551 8.326 0.225 1
1 1180 . 20 1 1 A 86 86 GLY HA2 H 85 3.368 3.938 -0.570 1
1 1181 . 20 1 1 A 86 86 GLY HA3 H 85 4.064 3.944 0.120 1
1 1182 . 20 1 1 A 86 86 GLY C C 85 173.524 173.659 -0.135 1
1 1183 . 20 1 1 A 86 86 GLY CA C 85 45.588 45.319 0.269 1
1 1184 . 20 1 1 A 86 86 GLY N N 85 101.093 104.350 -3.257 1
1 1185 . 20 1 1 A 87 87 HIS H H 86 7.906 7.256 0.650 1
1 1186 . 20 1 1 A 87 87 HIS HA H 86 5.003 5.243 -0.240 1
1 1191 . 20 1 1 A 87 87 HIS C C 86 173.910 174.309 -0.399 1
1 1192 . 20 1 1 A 87 87 HIS CA C 86 54.213 53.683 0.530 1
1 1193 . 20 1 1 A 87 87 HIS CB C 86 31.482 32.856 -1.374 1
1 1196 . 20 1 1 A 87 87 HIS N N 86 117.253 115.830 1.423 1
1 1197 . 20 1 1 A 88 88 SER H H 87 8.846 8.994 -0.148 1
1 1198 . 20 1 1 A 88 88 SER HA H 87 4.702 4.564 0.138 1
1 1201 . 20 1 1 A 88 88 SER C C 87 175.739 175.406 0.333 1
1 1202 . 20 1 1 A 88 88 SER CA C 87 58.245 58.128 0.117 1
1 1203 . 20 1 1 A 88 88 SER CB C 87 63.764 64.972 -1.208 1
1 1204 . 20 1 1 A 88 88 SER N N 87 117.469 115.271 2.198 1
1 1205 . 20 1 1 A 89 89 MET H H 88 9.174 8.374 0.800 1
1 1206 . 20 1 1 A 89 89 MET HA H 88 4.820 4.935 -0.115 1
1 1214 . 20 1 1 A 89 89 MET C C 88 176.294 177.074 -0.780 1
1 1215 . 20 1 1 A 89 89 MET CA C 88 54.853 54.283 0.570 1
1 1216 . 20 1 1 A 89 89 MET CB C 88 33.183 32.073 1.110 1
1 1219 . 20 1 1 A 89 89 MET N N 88 125.111 118.725 6.386 1
1 1220 . 20 1 1 A 90 90 VAL H H 89 8.217 8.115 0.102 1
1 1221 . 20 1 1 A 90 90 VAL HA H 89 4.063 3.858 0.205 1
1 1229 . 20 1 1 A 90 90 VAL C C 89 176.249 176.259 -0.010 1
1 1230 . 20 1 1 A 90 90 VAL CA C 89 63.377 65.144 -1.767 1
1 1231 . 20 1 1 A 90 90 VAL CB C 89 32.473 31.391 1.082 1
1 1234 . 20 1 1 A 90 90 VAL N N 89 120.477 120.822 -0.345 1
1 1235 . 20 1 1 A 91 91 SER H H 90 8.356 8.028 0.328 1
1 1236 . 20 1 1 A 91 91 SER HA H 90 4.614 5.038 -0.424 1
1 1239 . 20 1 1 A 91 91 SER C C 90 175.841 172.444 3.397 1
1 1240 . 20 1 1 A 91 91 SER CA C 90 57.860 57.737 0.123 1
1 1241 . 20 1 1 A 91 91 SER CB C 90 63.398 64.360 -0.962 1
1 1242 . 20 1 1 A 91 91 SER N N 90 116.676 116.887 -0.211 1
1 1243 . 20 1 1 A 92 92 VAL H H 91 8.158 8.946 -0.788 1
1 1244 . 20 1 1 A 92 92 VAL HA H 91 4.245 4.733 -0.488 1
1 1252 . 20 1 1 A 92 92 VAL C C 91 175.856 175.673 0.183 1
1 1253 . 20 1 1 A 92 92 VAL CA C 91 63.121 61.432 1.689 1
1 1254 . 20 1 1 A 92 92 VAL CB C 91 31.872 33.021 -1.149 1
1 1257 . 20 1 1 A 92 92 VAL N N 91 119.994 127.823 -7.829 1
1 1258 . 20 1 1 A 93 93 SER H H 92 8.368 8.863 -0.495 1
1 1259 . 20 1 1 A 93 93 SER HA H 92 4.581 4.799 -0.218 1
1 1262 . 20 1 1 A 93 93 SER C C 92 174.154 172.416 1.738 1
1 1263 . 20 1 1 A 93 93 SER CA C 92 57.706 57.962 -0.256 1
1 1264 . 20 1 1 A 93 93 SER CB C 92 63.126 64.209 -1.083 1
1 1265 . 20 1 1 A 93 93 SER N N 92 116.504 125.480 -8.976 1
1 1266 . 20 1 1 A 94 94 THR H H 93 7.427 7.541 -0.114 1
1 1267 . 20 1 1 A 94 94 THR HA H 93 4.464 4.640 -0.176 1
1 1272 . 20 1 1 A 94 94 THR CA C 93 61.032 59.122 1.910 1
1 1273 . 20 1 1 A 94 94 THR CB C 93 70.505 71.578 -1.073 1
1 1275 . 20 1 1 A 94 94 THR N N 93 119.172 116.764 2.408 1
1 1276 . 20 1 1 A 95 95 PRO HA H 94 4.426 4.700 -0.274 1
1 1283 . 20 1 1 A 95 95 PRO C C 94 178.692 178.052 0.640 1
1 1284 . 20 1 1 A 95 95 PRO CA C 94 62.921 62.736 0.185 1
1 1285 . 20 1 1 A 95 95 PRO CB C 94 32.774 32.359 0.415 1
1 1288 . 20 1 1 A 96 96 ILE H H 95 9.324 8.983 0.341 1
1 1289 . 20 1 1 A 96 96 ILE HA H 95 3.956 3.985 -0.029 1
1 1299 . 20 1 1 A 96 96 ILE C C 95 176.415 177.077 -0.662 1
1 1300 . 20 1 1 A 96 96 ILE CA C 95 63.880 63.594 0.286 1
1 1301 . 20 1 1 A 96 96 ILE CB C 95 38.055 37.923 0.132 1
1 1305 . 20 1 1 A 96 96 ILE N N 95 123.862 125.747 -1.885 1
1 1306 . 20 1 1 A 97 97 SER H H 96 8.211 8.352 -0.141 1
1 1307 . 20 1 1 A 97 97 SER HA H 96 3.978 4.099 -0.121 1
1 1310 . 20 1 1 A 97 97 SER C C 96 176.494 177.367 -0.873 1
1 1311 . 20 1 1 A 97 97 SER CA C 96 61.576 61.418 0.158 1
1 1312 . 20 1 1 A 97 97 SER CB C 96 61.262 62.297 -1.035 1
1 1313 . 20 1 1 A 97 97 SER N N 96 116.529 117.312 -0.783 1
1 1314 . 20 1 1 A 98 98 GLU H H 97 7.329 8.048 -0.719 1
1 1315 . 20 1 1 A 98 98 GLU HA H 97 4.290 4.232 0.058 1
1 1320 . 20 1 1 A 98 98 GLU C C 97 179.288 179.030 0.258 1
1 1321 . 20 1 1 A 98 98 GLU CA C 97 58.705 59.334 -0.629 1
1 1322 . 20 1 1 A 98 98 GLU CB C 97 29.791 30.318 -0.527 1
1 1324 . 20 1 1 A 98 98 GLU N N 97 122.955 122.582 0.373 1
1 1325 . 20 1 1 A 99 99 VAL H H 98 7.386 8.221 -0.835 1
1 1326 . 20 1 1 A 99 99 VAL HA H 98 3.815 3.802 0.013 1
1 1334 . 20 1 1 A 99 99 VAL C C 98 177.662 178.328 -0.666 1
1 1335 . 20 1 1 A 99 99 VAL CA C 98 65.774 65.922 -0.148 1
1 1336 . 20 1 1 A 99 99 VAL CB C 98 32.047 31.780 0.267 1
1 1339 . 20 1 1 A 99 99 VAL N N 98 120.888 120.689 0.199 1
1 1340 . 20 1 1 A 100 100 TYR H H 99 8.984 7.911 1.073 1
1 1341 . 20 1 1 A 100 100 TYR HA H 99 4.013 4.249 -0.236 1
1 1348 . 20 1 1 A 100 100 TYR C C 99 176.355 178.093 -1.738 1
1 1349 . 20 1 1 A 100 100 TYR CA C 99 62.118 61.561 0.557 1
1 1350 . 20 1 1 A 100 100 TYR CB C 99 38.921 38.654 0.267 1
1 1353 . 20 1 1 A 100 100 TYR N N 99 118.874 120.961 -2.087 1
1 1354 . 20 1 1 A 101 101 GLU H H 100 7.433 8.634 -1.201 1
1 1355 . 20 1 1 A 101 101 GLU HA H 100 3.833 4.103 -0.270 1
1 1360 . 20 1 1 A 101 101 GLU C C 100 177.674 176.851 0.823 1
1 1361 . 20 1 1 A 101 101 GLU CA C 100 58.895 58.038 0.857 1
1 1362 . 20 1 1 A 101 101 GLU CB C 100 29.577 28.510 1.067 1
1 1364 . 20 1 1 A 101 101 GLU N N 100 114.383 117.743 -3.360 1
1 1365 . 20 1 1 A 102 102 SER H H 101 7.423 8.070 -0.647 1
1 1366 . 20 1 1 A 102 102 SER HA H 101 4.552 4.585 -0.033 1
1 1369 . 20 1 1 A 102 102 SER C C 101 176.554 174.792 1.762 1
1 1370 . 20 1 1 A 102 102 SER CA C 101 60.200 58.987 1.213 1
1 1371 . 20 1 1 A 102 102 SER CB C 101 64.828 64.308 0.520 1
1 1372 . 20 1 1 A 102 102 SER N N 101 108.722 115.014 -6.292 1
1 1373 . 20 1 1 A 103 103 GLU H H 102 8.488 7.927 0.561 1
1 1374 . 20 1 1 A 103 103 GLU HA H 102 4.752 4.458 0.294 1
1 1379 . 20 1 1 A 103 103 GLU C C 102 176.653 176.381 0.272 1
1 1380 . 20 1 1 A 103 103 GLU CA C 102 55.464 57.430 -1.966 1
1 1381 . 20 1 1 A 103 103 GLU CB C 102 30.611 31.617 -1.006 1
1 1383 . 20 1 1 A 103 103 GLU N N 102 116.116 118.755 -2.639 1
1 1384 . 20 1 1 A 104 104 ARG H H 103 7.511 7.665 -0.154 1
1 1385 . 20 1 1 A 104 104 ARG HA H 103 4.241 4.221 0.020 1
1 1392 . 20 1 1 A 104 104 ARG C C 103 174.634 175.495 -0.861 1
1 1393 . 20 1 1 A 104 104 ARG CA C 103 56.926 56.172 0.754 1
1 1394 . 20 1 1 A 104 104 ARG CB C 103 29.713 29.844 -0.131 1
1 1397 . 20 1 1 A 104 104 ARG N N 103 117.180 118.483 -1.303 1
1 1398 . 20 1 1 A 105 105 ASP H H 104 9.069 9.004 0.065 1
1 1399 . 20 1 1 A 105 105 ASP HA H 104 4.774 4.987 -0.213 1
1 1402 . 20 1 1 A 105 105 ASP C C 104 177.460 177.212 0.248 1
1 1403 . 20 1 1 A 105 105 ASP CA C 104 53.852 52.678 1.174 1
1 1404 . 20 1 1 A 105 105 ASP CB C 104 43.424 43.076 0.348 1
1 1405 . 20 1 1 A 105 105 ASP N N 104 123.349 122.057 1.292 1
1 1406 . 20 1 1 A 106 106 GLU H H 105 8.982 8.880 0.102 1
1 1407 . 20 1 1 A 106 106 GLU HA H 105 4.199 3.991 0.208 1
1 1412 . 20 1 1 A 106 106 GLU C C 105 177.398 178.003 -0.605 1
1 1413 . 20 1 1 A 106 106 GLU CA C 105 59.413 59.623 -0.210 1
1 1414 . 20 1 1 A 106 106 GLU CB C 105 29.983 29.269 0.714 1
1 1416 . 20 1 1 A 106 106 GLU N N 105 125.197 121.056 4.141 1
1 1417 . 20 1 1 A 107 107 ASP H H 106 9.873 7.990 1.883 1
1 1418 . 20 1 1 A 107 107 ASP HA H 106 4.211 4.205 0.006 1
1 1421 . 20 1 1 A 107 107 ASP C C 106 175.775 176.660 -0.885 1
1 1422 . 20 1 1 A 107 107 ASP CA C 106 54.698 55.030 -0.332 1
1 1423 . 20 1 1 A 107 107 ASP CB C 106 40.187 41.414 -1.227 1
1 1424 . 20 1 1 A 107 107 ASP N N 106 118.717 116.761 1.956 1
1 1425 . 20 1 1 A 108 108 GLY H H 107 7.971 8.093 -0.122 1
1 1426 . 20 1 1 A 108 108 GLY HA2 H 107 3.431 3.939 -0.508 1
1 1427 . 20 1 1 A 108 108 GLY HA3 H 107 4.526 3.954 0.572 1
1 1428 . 20 1 1 A 108 108 GLY C C 107 175.138 174.180 0.958 1
1 1429 . 20 1 1 A 108 108 GLY CA C 107 45.029 45.494 -0.465 1
1 1430 . 20 1 1 A 108 108 GLY N N 107 105.017 108.724 -3.707 1
1 1431 . 20 1 1 A 109 109 PHE H H 108 9.799 8.284 1.515 1
1 1432 . 20 1 1 A 109 109 PHE HA H 108 4.607 4.735 -0.128 1
1 1440 . 20 1 1 A 109 109 PHE C C 108 175.171 175.020 0.151 1
1 1441 . 20 1 1 A 109 109 PHE CA C 108 60.222 57.001 3.221 1
1 1442 . 20 1 1 A 109 109 PHE CB C 108 40.433 41.165 -0.732 1
1 1446 . 20 1 1 A 109 109 PHE N N 108 123.309 118.490 4.819 1
1 1447 . 20 1 1 A 110 110 LEU H H 109 8.061 8.584 -0.523 1
1 1448 . 20 1 1 A 110 110 LEU HA H 109 5.022 4.544 0.478 1
1 1458 . 20 1 1 A 110 110 LEU C C 109 174.033 175.870 -1.837 1
1 1459 . 20 1 1 A 110 110 LEU CA C 109 53.539 54.678 -1.139 1
1 1460 . 20 1 1 A 110 110 LEU CB C 109 45.284 42.597 2.687 1
1 1464 . 20 1 1 A 110 110 LEU N N 109 119.999 124.940 -4.941 1
1 1465 . 20 1 1 A 111 111 TYR H H 110 9.363 9.328 0.035 1
1 1466 . 20 1 1 A 111 111 TYR HA H 110 4.906 5.077 -0.171 1
1 1473 . 20 1 1 A 111 111 TYR C C 110 176.538 174.840 1.698 1
1 1474 . 20 1 1 A 111 111 TYR CA C 110 59.335 56.724 2.611 1
1 1475 . 20 1 1 A 111 111 TYR CB C 110 39.485 40.369 -0.884 1
1 1478 . 20 1 1 A 111 111 TYR N N 110 126.322 123.334 2.988 1
1 1479 . 20 1 1 A 112 112 MET H H 111 9.496 9.120 0.376 1
1 1480 . 20 1 1 A 112 112 MET HA H 111 5.522 5.439 0.083 1
1 1488 . 20 1 1 A 112 112 MET C C 111 175.676 174.666 1.010 1
1 1489 . 20 1 1 A 112 112 MET CA C 111 54.216 54.259 -0.043 1
1 1490 . 20 1 1 A 112 112 MET CB C 111 36.821 37.187 -0.366 1
1 1493 . 20 1 1 A 112 112 MET N N 111 119.003 123.097 -4.094 1
1 1494 . 20 1 1 A 113 113 VAL H H 112 8.749 9.075 -0.326 1
1 1495 . 20 1 1 A 113 113 VAL HA H 112 5.967 5.373 0.594 1
1 1503 . 20 1 1 A 113 113 VAL C C 112 174.893 175.060 -0.167 1
1 1504 . 20 1 1 A 113 113 VAL CA C 112 58.896 61.041 -2.145 1
1 1505 . 20 1 1 A 113 113 VAL CB C 112 36.149 34.699 1.450 1
1 1508 . 20 1 1 A 113 113 VAL N N 112 119.658 121.145 -1.487 1
1 1509 . 20 1 1 A 114 114 TYR H H 113 8.210 8.433 -0.223 1
1 1510 . 20 1 1 A 114 114 TYR HA H 113 6.141 6.034 0.107 1
1 1517 . 20 1 1 A 114 114 TYR C C 113 173.353 173.693 -0.340 1
1 1518 . 20 1 1 A 114 114 TYR CA C 113 54.161 55.018 -0.857 1
1 1519 . 20 1 1 A 114 114 TYR CB C 113 43.538 42.248 1.290 1
1 1522 . 20 1 1 A 114 114 TYR N N 113 118.947 123.751 -4.804 1
1 1523 . 20 1 1 A 115 115 ALA H H 114 8.483 8.772 -0.289 1
1 1524 . 20 1 1 A 115 115 ALA HA H 114 4.762 4.831 -0.069 1
1 1528 . 20 1 1 A 115 115 ALA C C 114 176.033 176.824 -0.791 1
1 1529 . 20 1 1 A 115 115 ALA CA C 114 51.223 51.335 -0.112 1
1 1530 . 20 1 1 A 115 115 ALA CB C 114 24.521 22.909 1.612 1
1 1531 . 20 1 1 A 115 115 ALA N N 114 119.557 121.672 -2.115 1
1 1532 . 20 1 1 A 116 116 SER H H 115 9.835 8.697 1.138 1
1 1533 . 20 1 1 A 116 116 SER HA H 115 4.497 4.992 -0.495 1
1 1536 . 20 1 1 A 116 116 SER C C 115 172.664 173.825 -1.161 1
1 1537 . 20 1 1 A 116 116 SER CA C 115 58.669 58.657 0.012 1
1 1538 . 20 1 1 A 116 116 SER CB C 115 63.570 63.238 0.332 1
1 1539 . 20 1 1 A 116 116 SER N N 115 114.435 113.542 0.893 1
1 1540 . 20 1 1 A 117 117 GLN H H 116 7.180 7.569 -0.389 1
1 1541 . 20 1 1 A 117 117 GLN HA H 116 4.460 5.057 -0.597 1
1 1548 . 20 1 1 A 117 117 GLN C C 116 172.901 175.035 -2.134 1
1 1549 . 20 1 1 A 117 117 GLN CA C 116 53.974 55.272 -1.298 1
1 1550 . 20 1 1 A 117 117 GLN CB C 116 32.192 32.281 -0.089 1
1 1553 . 20 1 1 A 117 117 GLN N N 116 116.449 120.562 -4.113 1
1 1555 . 20 1 1 A 118 118 GLU H H 117 7.878 8.451 -0.573 1
1 1556 . 20 1 1 A 118 118 GLU HA H 117 3.259 4.522 -1.263 1
1 1561 . 20 1 1 A 118 118 GLU C C 117 175.233 176.163 -0.930 1
1 1562 . 20 1 1 A 118 118 GLU CA C 117 56.890 55.949 0.941 1
1 1563 . 20 1 1 A 118 118 GLU CB C 117 30.325 30.068 0.257 1
1 1565 . 20 1 1 A 118 118 GLU N N 117 117.687 123.537 -5.850 1
1 1566 . 20 1 1 A 119 119 THR H H 118 6.968 7.402 -0.434 1
1 1567 . 20 1 1 A 119 119 THR HA H 118 4.082 4.361 -0.279 1
1 1572 . 20 1 1 A 119 119 THR C C 118 173.134 173.609 -0.475 1
1 1573 . 20 1 1 A 119 119 THR CA C 118 60.123 59.930 0.193 1
1 1574 . 20 1 1 A 119 119 THR CB C 118 70.147 69.260 0.887 1
1 1576 . 20 1 1 A 119 119 THR N N 118 109.548 109.744 -0.196 1
1 1577 . 20 1 1 A 120 120 PHE H H 119 8.138 7.866 0.272 1
1 1578 . 20 1 1 A 120 120 PHE HA H 119 4.436 4.853 -0.417 1
1 1586 . 20 1 1 A 120 120 PHE C C 119 174.902 175.347 -0.445 1
1 1587 . 20 1 1 A 120 120 PHE CA C 119 56.750 56.751 -0.001 1
1 1588 . 20 1 1 A 120 120 PHE CB C 119 39.411 40.629 -1.218 1
1 1592 . 20 1 1 A 120 120 PHE N N 119 121.777 121.977 -0.200 1
1 1607 . 20 2 2 B 2 2 SER H H 332 8.471 8.195 0.276 1
1 1608 . 20 2 2 B 2 2 SER HA H 332 4.484 4.770 -0.286 1
1 1611 . 20 2 2 B 2 2 SER C C 332 174.962 174.588 0.374 1
1 1612 . 20 2 2 B 2 2 SER CA C 332 88.436 56.529 31.907 1
1 1613 . 20 2 2 B 2 2 SER CB C 332 93.927 63.081 30.846 1
1 1614 . 20 2 2 B 2 2 SER N N 332 147.261 113.193 34.068 1
1 1615 . 20 2 2 B 3 3 GLY H H 333 8.601 8.264 0.337 1
1 1616 . 20 2 2 B 3 3 GLY HA2 H 333 4.022 3.834 0.188 1
1 1617 . 20 2 2 B 3 3 GLY HA3 H 333 4.022 3.837 0.185 1
1 1618 . 20 2 2 B 3 3 GLY C C 333 174.774 175.175 -0.401 1
1 1619 . 20 2 2 B 3 3 GLY CA C 333 75.465 46.597 28.868 1
1 1620 . 20 2 2 B 3 3 GLY N N 333 141.077 110.439 30.638 1
1 1621 . 20 2 2 B 4 4 GLY H H 334 8.372 8.706 -0.334 1
1 1622 . 20 2 2 B 4 4 GLY HA2 H 334 3.980 4.089 -0.109 1
1 1623 . 20 2 2 B 4 4 GLY HA3 H 334 3.980 4.093 -0.113 1
1 1624 . 20 2 2 B 4 4 GLY C C 334 174.758 174.384 0.374 1
1 1625 . 20 2 2 B 4 4 GLY CA C 334 75.674 44.846 30.828 1
1 1626 . 20 2 2 B 4 4 GLY N N 334 138.894 114.971 23.923 1
1 1627 . 20 2 2 B 5 5 ASP H H 335 8.429 8.780 -0.351 1
1 1628 . 20 2 2 B 5 5 ASP HA H 335 4.610 5.134 -0.524 1
1 1631 . 20 2 2 B 5 5 ASP CA C 335 85.066 53.886 31.180 1
1 1632 . 20 2 2 B 5 5 ASP CB C 335 71.191 41.795 29.396 1
1 1633 . 20 2 2 B 5 5 ASP N N 335 149.637 119.301 30.336 1
1 1634 . 20 2 2 B 6 6 ASP H H 336 8.244 7.995 0.249 1
1 1635 . 20 2 2 B 6 6 ASP HA H 336 4.559 4.461 0.098 1
1 1638 . 20 2 2 B 6 6 ASP C C 336 175.432 176.272 -0.840 1
1 1639 . 20 2 2 B 6 6 ASP CA C 336 84.708 56.828 27.880 1
1 1640 . 20 2 2 B 6 6 ASP CB C 336 71.552 40.824 30.728 1
1 1641 . 20 2 2 B 6 6 ASP N N 336 148.885 119.717 29.168 1
1 1642 . 20 2 2 B 7 7 ASP H H 337 7.803 7.896 -0.093 1
1 1643 . 20 2 2 B 7 7 ASP HA H 337 4.655 5.066 -0.411 1
1 1646 . 20 2 2 B 7 7 ASP C C 337 175.362 175.006 0.356 1
1 1647 . 20 2 2 B 7 7 ASP CA C 337 83.670 52.680 30.990 1
1 1648 . 20 2 2 B 7 7 ASP CB C 337 71.933 43.203 28.730 1
1 1649 . 20 2 2 B 7 7 ASP N N 337 149.563 116.489 33.074 1
1 1650 . 20 2 2 B 8 8 TRP H H 338 8.472 8.576 -0.104 1
1 1651 . 20 2 2 B 8 8 TRP HA H 338 4.174 4.826 -0.652 1
1 1660 . 20 2 2 B 8 8 TRP C C 338 175.959 176.436 -0.477 1
1 1661 . 20 2 2 B 8 8 TRP CA C 338 87.020 57.543 29.477 1
1 1662 . 20 2 2 B 8 8 TRP CB C 338 61.223 30.202 31.021 1
1 1668 . 20 2 2 B 8 8 TRP N N 338 150.172 125.154 25.018 1
1 1670 . 20 2 2 B 9 9 THR H H 339 7.994 8.391 -0.397 1
1 1671 . 20 2 2 B 9 9 THR HA H 339 4.533 4.273 0.260 1
1 1676 . 20 2 2 B 9 9 THR C C 339 174.035 173.136 0.899 1
1 1677 . 20 2 2 B 9 9 THR CA C 339 92.659 60.180 32.479 1
1 1678 . 20 2 2 B 9 9 THR CB C 339 99.436 70.332 29.104 1
1 1680 . 20 2 2 B 9 9 THR N N 339 149.503 115.733 33.770 1
1 1681 . 20 2 2 B 10 10 HIS H H 340 9.463 8.203 1.260 1
1 1682 . 20 2 2 B 10 10 HIS HA H 340 4.677 5.536 -0.859 1
1 1687 . 20 2 2 B 10 10 HIS C C 340 175.606 173.068 2.538 1
1 1688 . 20 2 2 B 10 10 HIS CA C 340 87.024 53.672 33.352 1
1 1689 . 20 2 2 B 10 10 HIS CB C 340 61.368 32.753 28.615 1
1 1692 . 20 2 2 B 10 10 HIS N N 340 159.135 118.620 40.515 1
1 1693 . 20 2 2 B 11 11 LEU H H 341 8.398 9.100 -0.702 1
1 1694 . 20 2 2 B 11 11 LEU HA H 341 4.848 4.857 -0.009 1
1 1704 . 20 2 2 B 11 11 LEU C C 341 175.919 175.721 0.198 1
1 1705 . 20 2 2 B 11 11 LEU CA C 341 83.684 54.194 29.490 1
1 1706 . 20 2 2 B 11 11 LEU CB C 341 73.601 41.224 32.377 1
1 1710 . 20 2 2 B 11 11 LEU N N 341 153.300 126.538 26.762 1
1 1711 . 20 2 2 B 12 12 SER H H 342 8.382 9.011 -0.629 1
1 1712 . 20 2 2 B 12 12 SER HA H 342 4.652 5.014 -0.362 1
1 1715 . 20 2 2 B 12 12 SER C C 342 174.263 175.140 -0.877 1
1 1716 . 20 2 2 B 12 12 SER CA C 342 86.841 57.889 28.952 1
1 1717 . 20 2 2 B 12 12 SER CB C 342 95.113 63.835 31.278 1
1 1718 . 20 2 2 B 12 12 SER N N 342 144.018 122.350 21.668 1
1 1719 . 20 2 2 B 13 13 SER H H 343 8.937 9.081 -0.144 1
1 1720 . 20 2 2 B 13 13 SER HA H 343 4.291 4.441 -0.150 1
1 1723 . 20 2 2 B 13 13 SER C C 343 174.652 175.054 -0.402 1
1 1724 . 20 2 2 B 13 13 SER CA C 343 89.546 60.669 28.877 1
1 1725 . 20 2 2 B 13 13 SER CB C 343 93.470 63.116 30.354 1
1 1726 . 20 2 2 B 13 13 SER N N 343 148.575 120.238 28.337 1
1 1727 . 20 2 2 B 14 14 LYS H H 344 8.250 8.397 -0.147 1
1 1728 . 20 2 2 B 14 14 LYS HA H 344 4.319 4.207 0.112 1
1 1737 . 20 2 2 B 14 14 LYS C C 344 176.699 177.601 -0.902 1
1 1738 . 20 2 2 B 14 14 LYS CA C 344 86.716 58.729 27.987 1
1 1739 . 20 2 2 B 14 14 LYS CB C 344 62.831 32.876 29.955 1
1 1743 . 20 2 2 B 14 14 LYS N N 344 151.908 121.866 30.042 1
1 1744 . 20 2 2 B 15 15 GLU H H 345 8.256 7.420 0.836 1
1 1745 . 20 2 2 B 15 15 GLU HA H 345 4.240 4.360 -0.120 1
1 1750 . 20 2 2 B 15 15 GLU C C 345 176.152 176.224 -0.072 1
1 1751 . 20 2 2 B 15 15 GLU CA C 345 87.152 57.113 30.039 1
1 1752 . 20 2 2 B 15 15 GLU CB C 345 60.176 30.012 30.164 1
1 1754 . 20 2 2 B 15 15 GLU N N 345 150.679 118.044 32.635 1
1 1755 . 20 2 2 B 16 16 VAL H H 346 7.762 7.327 0.435 1
1 1756 . 20 2 2 B 16 16 VAL HA H 346 4.161 4.152 0.009 1
1 1764 . 20 2 2 B 16 16 VAL C C 346 174.646 175.922 -1.276 1
1 1765 . 20 2 2 B 16 16 VAL CA C 346 91.707 60.520 31.187 1
1 1766 . 20 2 2 B 16 16 VAL CB C 346 63.107 34.115 28.992 1
1 1769 . 20 2 2 B 16 16 VAL N N 346 146.718 116.313 30.405 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 112 1.139 1
2 1 1 1 "RMS(OBS, PRED)" CA 119 1.334 1
3 1 1 1 "RMS(OBS, PRED)" CB 115 1.246 1
4 1 1 1 "RMS(OBS, PRED)" H 112 0.708 1
5 1 1 1 "RMS(OBS, PRED)" HA 122 0.343 1
6 1 1 1 "RMS(OBS, PRED)" N 112 3.444 1
7 1 1 2 "RMS(OBS, PRED)" C 14 1.069 1
8 1 1 2 "RMS(OBS, PRED)" CA 15 31.291 1
9 1 1 2 "RMS(OBS, PRED)" CB 13 31.398 1
10 1 1 2 "RMS(OBS, PRED)" H 15 0.615 1
11 1 1 2 "RMS(OBS, PRED)" HA 17 0.278 1
12 1 1 2 "RMS(OBS, PRED)" N 15 31.049 1
13 1 2 1 "RMS(OBS, PRED)" C 112 1.129 1
14 1 2 1 "RMS(OBS, PRED)" CA 119 1.369 1
15 1 2 1 "RMS(OBS, PRED)" CB 115 1.299 1
16 1 2 1 "RMS(OBS, PRED)" H 112 0.669 1
17 1 2 1 "RMS(OBS, PRED)" HA 122 0.371 1
18 1 2 1 "RMS(OBS, PRED)" N 112 3.310 1
19 1 2 2 "RMS(OBS, PRED)" C 14 1.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 15 31.533 1
21 1 2 2 "RMS(OBS, PRED)" CB 13 30.936 1
22 1 2 2 "RMS(OBS, PRED)" H 15 0.532 1
23 1 2 2 "RMS(OBS, PRED)" HA 17 0.402 1
24 1 2 2 "RMS(OBS, PRED)" N 15 31.983 1
25 1 3 1 "RMS(OBS, PRED)" C 112 1.209 1
26 1 3 1 "RMS(OBS, PRED)" CA 119 1.422 1
27 1 3 1 "RMS(OBS, PRED)" CB 115 1.230 1
28 1 3 1 "RMS(OBS, PRED)" H 112 0.674 1
29 1 3 1 "RMS(OBS, PRED)" HA 122 0.355 1
30 1 3 1 "RMS(OBS, PRED)" N 112 3.473 1
31 1 3 2 "RMS(OBS, PRED)" C 14 0.833 1
32 1 3 2 "RMS(OBS, PRED)" CA 15 31.449 1
33 1 3 2 "RMS(OBS, PRED)" CB 13 31.212 1
34 1 3 2 "RMS(OBS, PRED)" H 15 0.674 1
35 1 3 2 "RMS(OBS, PRED)" HA 17 0.285 1
36 1 3 2 "RMS(OBS, PRED)" N 15 31.120 1
37 1 4 1 "RMS(OBS, PRED)" C 112 1.156 1
38 1 4 1 "RMS(OBS, PRED)" CA 119 1.356 1
39 1 4 1 "RMS(OBS, PRED)" CB 115 1.249 1
40 1 4 1 "RMS(OBS, PRED)" H 112 0.649 1
41 1 4 1 "RMS(OBS, PRED)" HA 122 0.357 1
42 1 4 1 "RMS(OBS, PRED)" N 112 3.354 1
43 1 4 2 "RMS(OBS, PRED)" C 14 0.872 1
44 1 4 2 "RMS(OBS, PRED)" CA 15 30.831 1
45 1 4 2 "RMS(OBS, PRED)" CB 13 31.410 1
46 1 4 2 "RMS(OBS, PRED)" H 15 0.537 1
47 1 4 2 "RMS(OBS, PRED)" HA 17 0.297 1
48 1 4 2 "RMS(OBS, PRED)" N 15 32.082 1
49 1 5 1 "RMS(OBS, PRED)" C 112 1.140 1
50 1 5 1 "RMS(OBS, PRED)" CA 119 1.351 1
51 1 5 1 "RMS(OBS, PRED)" CB 115 1.336 1
52 1 5 1 "RMS(OBS, PRED)" H 112 0.682 1
53 1 5 1 "RMS(OBS, PRED)" HA 122 0.357 1
54 1 5 1 "RMS(OBS, PRED)" N 112 3.270 1
55 1 5 2 "RMS(OBS, PRED)" C 14 0.723 1
56 1 5 2 "RMS(OBS, PRED)" CA 15 31.518 1
57 1 5 2 "RMS(OBS, PRED)" CB 13 31.324 1
58 1 5 2 "RMS(OBS, PRED)" H 15 0.597 1
59 1 5 2 "RMS(OBS, PRED)" HA 17 0.353 1
60 1 5 2 "RMS(OBS, PRED)" N 15 30.196 1
61 1 6 1 "RMS(OBS, PRED)" C 112 1.101 1
62 1 6 1 "RMS(OBS, PRED)" CA 119 1.439 1
63 1 6 1 "RMS(OBS, PRED)" CB 115 1.282 1
64 1 6 1 "RMS(OBS, PRED)" H 112 0.635 1
65 1 6 1 "RMS(OBS, PRED)" HA 122 0.338 1
66 1 6 1 "RMS(OBS, PRED)" N 112 3.201 1
67 1 6 2 "RMS(OBS, PRED)" C 14 0.980 1
68 1 6 2 "RMS(OBS, PRED)" CA 15 31.316 1
69 1 6 2 "RMS(OBS, PRED)" CB 13 31.430 1
70 1 6 2 "RMS(OBS, PRED)" H 15 0.568 1
71 1 6 2 "RMS(OBS, PRED)" HA 17 0.363 1
72 1 6 2 "RMS(OBS, PRED)" N 15 31.626 1
73 1 7 1 "RMS(OBS, PRED)" C 112 1.069 1
74 1 7 1 "RMS(OBS, PRED)" CA 119 1.387 1
75 1 7 1 "RMS(OBS, PRED)" CB 115 1.280 1
76 1 7 1 "RMS(OBS, PRED)" H 112 0.682 1
77 1 7 1 "RMS(OBS, PRED)" HA 122 0.347 1
78 1 7 1 "RMS(OBS, PRED)" N 112 3.346 1
79 1 7 2 "RMS(OBS, PRED)" C 14 0.731 1
80 1 7 2 "RMS(OBS, PRED)" CA 15 31.168 1
81 1 7 2 "RMS(OBS, PRED)" CB 13 31.261 1
82 1 7 2 "RMS(OBS, PRED)" H 15 0.591 1
83 1 7 2 "RMS(OBS, PRED)" HA 17 0.270 1
84 1 7 2 "RMS(OBS, PRED)" N 15 32.063 1
85 1 8 1 "RMS(OBS, PRED)" C 112 1.174 1
86 1 8 1 "RMS(OBS, PRED)" CA 119 1.364 1
87 1 8 1 "RMS(OBS, PRED)" CB 115 1.277 1
88 1 8 1 "RMS(OBS, PRED)" H 112 0.680 1
89 1 8 1 "RMS(OBS, PRED)" HA 122 0.340 1
90 1 8 1 "RMS(OBS, PRED)" N 112 3.390 1
91 1 8 2 "RMS(OBS, PRED)" C 14 0.734 1
92 1 8 2 "RMS(OBS, PRED)" CA 15 31.335 1
93 1 8 2 "RMS(OBS, PRED)" CB 13 31.097 1
94 1 8 2 "RMS(OBS, PRED)" H 15 0.543 1
95 1 8 2 "RMS(OBS, PRED)" HA 17 0.372 1
96 1 8 2 "RMS(OBS, PRED)" N 15 31.312 1
97 1 9 1 "RMS(OBS, PRED)" C 112 1.100 1
98 1 9 1 "RMS(OBS, PRED)" CA 119 1.363 1
99 1 9 1 "RMS(OBS, PRED)" CB 115 1.219 1
100 1 9 1 "RMS(OBS, PRED)" H 112 0.668 1
101 1 9 1 "RMS(OBS, PRED)" HA 122 0.345 1
102 1 9 1 "RMS(OBS, PRED)" N 112 3.373 1
103 1 9 2 "RMS(OBS, PRED)" C 14 1.237 1
104 1 9 2 "RMS(OBS, PRED)" CA 15 30.878 1
105 1 9 2 "RMS(OBS, PRED)" CB 13 31.689 1
106 1 9 2 "RMS(OBS, PRED)" H 15 0.503 1
107 1 9 2 "RMS(OBS, PRED)" HA 17 0.251 1
108 1 9 2 "RMS(OBS, PRED)" N 15 32.177 1
109 1 10 1 "RMS(OBS, PRED)" C 112 1.146 1
110 1 10 1 "RMS(OBS, PRED)" CA 119 1.503 1
111 1 10 1 "RMS(OBS, PRED)" CB 115 1.240 1
112 1 10 1 "RMS(OBS, PRED)" H 112 0.657 1
113 1 10 1 "RMS(OBS, PRED)" HA 122 0.356 1
114 1 10 1 "RMS(OBS, PRED)" N 112 3.316 1
115 1 10 2 "RMS(OBS, PRED)" C 14 0.795 1
116 1 10 2 "RMS(OBS, PRED)" CA 15 31.164 1
117 1 10 2 "RMS(OBS, PRED)" CB 13 31.497 1
118 1 10 2 "RMS(OBS, PRED)" H 15 0.519 1
119 1 10 2 "RMS(OBS, PRED)" HA 17 0.226 1
120 1 10 2 "RMS(OBS, PRED)" N 15 31.317 1
121 1 11 1 "RMS(OBS, PRED)" C 112 1.113 1
122 1 11 1 "RMS(OBS, PRED)" CA 119 1.405 1
123 1 11 1 "RMS(OBS, PRED)" CB 115 1.225 1
124 1 11 1 "RMS(OBS, PRED)" H 112 0.657 1
125 1 11 1 "RMS(OBS, PRED)" HA 122 0.338 1
126 1 11 1 "RMS(OBS, PRED)" N 112 3.312 1
127 1 11 2 "RMS(OBS, PRED)" C 14 0.856 1
128 1 11 2 "RMS(OBS, PRED)" CA 15 31.495 1
129 1 11 2 "RMS(OBS, PRED)" CB 13 30.943 1
130 1 11 2 "RMS(OBS, PRED)" H 15 0.560 1
131 1 11 2 "RMS(OBS, PRED)" HA 17 0.421 1
132 1 11 2 "RMS(OBS, PRED)" N 15 30.671 1
133 1 12 1 "RMS(OBS, PRED)" C 112 1.139 1
134 1 12 1 "RMS(OBS, PRED)" CA 119 1.486 1
135 1 12 1 "RMS(OBS, PRED)" CB 115 1.301 1
136 1 12 1 "RMS(OBS, PRED)" H 112 0.679 1
137 1 12 1 "RMS(OBS, PRED)" HA 122 0.343 1
138 1 12 1 "RMS(OBS, PRED)" N 112 3.472 1
139 1 12 2 "RMS(OBS, PRED)" C 14 0.852 1
140 1 12 2 "RMS(OBS, PRED)" CA 15 31.073 1
141 1 12 2 "RMS(OBS, PRED)" CB 13 31.280 1
142 1 12 2 "RMS(OBS, PRED)" H 15 0.654 1
143 1 12 2 "RMS(OBS, PRED)" HA 17 0.285 1
144 1 12 2 "RMS(OBS, PRED)" N 15 30.889 1
145 1 13 1 "RMS(OBS, PRED)" C 112 1.134 1
146 1 13 1 "RMS(OBS, PRED)" CA 119 1.474 1
147 1 13 1 "RMS(OBS, PRED)" CB 115 1.226 1
148 1 13 1 "RMS(OBS, PRED)" H 112 0.704 1
149 1 13 1 "RMS(OBS, PRED)" HA 122 0.346 1
150 1 13 1 "RMS(OBS, PRED)" N 112 3.450 1
151 1 13 2 "RMS(OBS, PRED)" C 14 1.265 1
152 1 13 2 "RMS(OBS, PRED)" CA 15 31.375 1
153 1 13 2 "RMS(OBS, PRED)" CB 13 31.259 1
154 1 13 2 "RMS(OBS, PRED)" H 15 0.633 1
155 1 13 2 "RMS(OBS, PRED)" HA 17 0.339 1
156 1 13 2 "RMS(OBS, PRED)" N 15 30.848 1
157 1 14 1 "RMS(OBS, PRED)" C 112 1.097 1
158 1 14 1 "RMS(OBS, PRED)" CA 119 1.406 1
159 1 14 1 "RMS(OBS, PRED)" CB 115 1.291 1
160 1 14 1 "RMS(OBS, PRED)" H 112 0.678 1
161 1 14 1 "RMS(OBS, PRED)" HA 122 0.368 1
162 1 14 1 "RMS(OBS, PRED)" N 112 3.276 1
163 1 14 2 "RMS(OBS, PRED)" C 14 0.778 1
164 1 14 2 "RMS(OBS, PRED)" CA 15 31.404 1
165 1 14 2 "RMS(OBS, PRED)" CB 13 31.090 1
166 1 14 2 "RMS(OBS, PRED)" H 15 0.579 1
167 1 14 2 "RMS(OBS, PRED)" HA 17 0.405 1
168 1 14 2 "RMS(OBS, PRED)" N 15 30.901 1
169 1 15 1 "RMS(OBS, PRED)" C 112 1.205 1
170 1 15 1 "RMS(OBS, PRED)" CA 119 1.425 1
171 1 15 1 "RMS(OBS, PRED)" CB 115 1.279 1
172 1 15 1 "RMS(OBS, PRED)" H 112 0.694 1
173 1 15 1 "RMS(OBS, PRED)" HA 122 0.360 1
174 1 15 1 "RMS(OBS, PRED)" N 112 3.447 1
175 1 15 2 "RMS(OBS, PRED)" C 14 0.579 1
176 1 15 2 "RMS(OBS, PRED)" CA 15 31.429 1
177 1 15 2 "RMS(OBS, PRED)" CB 13 31.856 1
178 1 15 2 "RMS(OBS, PRED)" H 15 0.582 1
179 1 15 2 "RMS(OBS, PRED)" HA 17 0.318 1
180 1 15 2 "RMS(OBS, PRED)" N 15 31.602 1
181 1 16 1 "RMS(OBS, PRED)" C 112 1.164 1
182 1 16 1 "RMS(OBS, PRED)" CA 119 1.471 1
183 1 16 1 "RMS(OBS, PRED)" CB 115 1.212 1
184 1 16 1 "RMS(OBS, PRED)" H 112 0.665 1
185 1 16 1 "RMS(OBS, PRED)" HA 122 0.336 1
186 1 16 1 "RMS(OBS, PRED)" N 112 3.429 1
187 1 16 2 "RMS(OBS, PRED)" C 14 1.460 1
188 1 16 2 "RMS(OBS, PRED)" CA 15 30.805 1
189 1 16 2 "RMS(OBS, PRED)" CB 13 31.679 1
190 1 16 2 "RMS(OBS, PRED)" H 15 0.380 1
191 1 16 2 "RMS(OBS, PRED)" HA 17 0.242 1
192 1 16 2 "RMS(OBS, PRED)" N 15 31.744 1
193 1 17 1 "RMS(OBS, PRED)" C 112 1.185 1
194 1 17 1 "RMS(OBS, PRED)" CA 119 1.386 1
195 1 17 1 "RMS(OBS, PRED)" CB 115 1.228 1
196 1 17 1 "RMS(OBS, PRED)" H 112 0.691 1
197 1 17 1 "RMS(OBS, PRED)" HA 122 0.345 1
198 1 17 1 "RMS(OBS, PRED)" N 112 3.447 1
199 1 17 2 "RMS(OBS, PRED)" C 14 0.693 1
200 1 17 2 "RMS(OBS, PRED)" CA 15 31.264 1
201 1 17 2 "RMS(OBS, PRED)" CB 13 30.904 1
202 1 17 2 "RMS(OBS, PRED)" H 15 0.605 1
203 1 17 2 "RMS(OBS, PRED)" HA 17 0.375 1
204 1 17 2 "RMS(OBS, PRED)" N 15 31.715 1
205 1 18 1 "RMS(OBS, PRED)" C 112 1.059 1
206 1 18 1 "RMS(OBS, PRED)" CA 119 1.419 1
207 1 18 1 "RMS(OBS, PRED)" CB 115 1.181 1
208 1 18 1 "RMS(OBS, PRED)" H 112 0.665 1
209 1 18 1 "RMS(OBS, PRED)" HA 122 0.366 1
210 1 18 1 "RMS(OBS, PRED)" N 112 3.213 1
211 1 18 2 "RMS(OBS, PRED)" C 14 0.799 1
212 1 18 2 "RMS(OBS, PRED)" CA 15 31.571 1
213 1 18 2 "RMS(OBS, PRED)" CB 13 31.095 1
214 1 18 2 "RMS(OBS, PRED)" H 15 0.669 1
215 1 18 2 "RMS(OBS, PRED)" HA 17 0.352 1
216 1 18 2 "RMS(OBS, PRED)" N 15 31.569 1
217 1 19 1 "RMS(OBS, PRED)" C 112 1.078 1
218 1 19 1 "RMS(OBS, PRED)" CA 119 1.377 1
219 1 19 1 "RMS(OBS, PRED)" CB 115 1.298 1
220 1 19 1 "RMS(OBS, PRED)" H 112 0.646 1
221 1 19 1 "RMS(OBS, PRED)" HA 122 0.372 1
222 1 19 1 "RMS(OBS, PRED)" N 112 3.221 1
223 1 19 2 "RMS(OBS, PRED)" C 14 0.766 1
224 1 19 2 "RMS(OBS, PRED)" CA 15 30.873 1
225 1 19 2 "RMS(OBS, PRED)" CB 13 31.391 1
226 1 19 2 "RMS(OBS, PRED)" H 15 0.527 1
227 1 19 2 "RMS(OBS, PRED)" HA 17 0.372 1
228 1 19 2 "RMS(OBS, PRED)" N 15 31.901 1
229 1 20 1 "RMS(OBS, PRED)" C 112 1.108 1
230 1 20 1 "RMS(OBS, PRED)" CA 119 1.396 1
231 1 20 1 "RMS(OBS, PRED)" CB 115 1.259 1
232 1 20 1 "RMS(OBS, PRED)" H 112 0.649 1
233 1 20 1 "RMS(OBS, PRED)" HA 122 0.339 1
234 1 20 1 "RMS(OBS, PRED)" N 112 3.378 1
235 1 20 2 "RMS(OBS, PRED)" C 14 0.967 1
236 1 20 2 "RMS(OBS, PRED)" CA 15 31.337 1
237 1 20 2 "RMS(OBS, PRED)" CB 13 31.370 1
238 1 20 2 "RMS(OBS, PRED)" H 15 0.539 1
239 1 20 2 "RMS(OBS, PRED)" HA 17 0.357 1
240 1 20 2 "RMS(OBS, PRED)" N 15 31.425 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 23 . 1 1 A 3 3 PRO HA H 2 4.425 4.519 -0.094 2
1 32 . 1 1 A 3 3 PRO CB C 2 32.077 31.605 0.472 2
1 36 . 1 1 A 4 4 SER HA H 3 4.391 4.673 -0.282 2
1 41 . 1 1 A 4 4 SER CB C 3 63.798 64.554 -0.756 2
1 49 . 1 1 A 5 5 GLU C C 4 176.352 176.018 0.334 2
1 196 . 1 1 A 17 17 ARG H H 16 8.577 8.226 0.351 2
1 197 . 1 1 A 17 17 ARG HA H 16 4.280 4.279 0.001 2
1 202 . 1 1 A 17 17 ARG C C 16 177.128 178.792 -1.664 2
1 203 . 1 1 A 17 17 ARG CA C 16 61.442 58.849 2.593 2
1 204 . 1 1 A 17 17 ARG N N 16 121.288 119.682 1.606 2
1 205 . 1 1 A 18 18 VAL H H 17 8.329 8.148 0.181 2
1 206 . 1 1 A 18 18 VAL HA H 17 3.938 3.704 0.234 2
1 214 . 1 1 A 18 18 VAL C C 17 179.744 177.887 1.857 2
1 215 . 1 1 A 18 18 VAL CA C 17 65.441 65.659 -0.219 2
1 216 . 1 1 A 18 18 VAL CB C 17 32.080 31.452 0.628 2
1 219 . 1 1 A 18 18 VAL N N 17 116.752 119.434 -2.682 2
1 220 . 1 1 A 19 19 GLU H H 18 7.445 8.150 -0.705 2
1 221 . 1 1 A 19 19 GLU HA H 18 4.270 3.979 0.291 2
1 226 . 1 1 A 19 19 GLU C C 18 177.625 178.289 -0.664 2
1 227 . 1 1 A 19 19 GLU CA C 18 58.637 59.378 -0.741 2
1 228 . 1 1 A 19 19 GLU CB C 18 29.398 29.226 0.172 2
1 230 . 1 1 A 19 19 GLU N N 18 120.323 120.817 -0.494 2
1 231 . 1 1 A 20 20 ASP H H 19 8.690 8.232 0.458 2
1 232 . 1 1 A 20 20 ASP HA H 19 4.514 4.388 0.126 2
1 235 . 1 1 A 20 20 ASP C C 19 179.877 178.386 1.491 2
1 236 . 1 1 A 20 20 ASP CA C 19 57.224 57.446 -0.222 2
1 237 . 1 1 A 20 20 ASP CB C 19 41.487 41.576 -0.089 2
1 238 . 1 1 A 20 20 ASP N N 19 120.313 120.305 0.008 2
1 239 . 1 1 A 21 21 VAL H H 20 7.731 7.814 -0.083 2
1 240 . 1 1 A 21 21 VAL HA H 20 3.394 3.314 0.080 2
1 248 . 1 1 A 21 21 VAL C C 20 176.989 177.849 -0.860 2
1 249 . 1 1 A 21 21 VAL CA C 20 65.989 65.954 0.035 2
1 250 . 1 1 A 21 21 VAL CB C 20 31.291 31.165 0.126 2
1 253 . 1 1 A 21 21 VAL N N 20 119.119 118.980 0.139 2
1 254 . 1 1 A 22 22 ARG H H 21 8.313 8.006 0.307 2
1 255 . 1 1 A 22 22 ARG HA H 21 3.825 3.969 -0.144 2
1 263 . 1 1 A 22 22 ARG C C 21 180.178 178.447 1.731 2
1 264 . 1 1 A 22 22 ARG CA C 21 59.821 59.223 0.598 2
1 265 . 1 1 A 22 22 ARG CB C 21 30.164 29.977 0.187 2
1 269 . 1 1 A 22 22 ARG N N 21 120.772 120.903 -0.130 2
1 271 . 1 1 A 23 23 LEU H H 22 8.306 7.846 0.460 2
1 272 . 1 1 A 23 23 LEU HA H 22 4.076 3.980 0.096 2
1 282 . 1 1 A 23 23 LEU C C 22 180.221 179.214 1.007 2
1 283 . 1 1 A 23 23 LEU CA C 22 57.541 57.924 -0.383 2
1 284 . 1 1 A 23 23 LEU CB C 22 42.300 41.758 0.542 2
1 288 . 1 1 A 23 23 LEU N N 22 116.413 119.339 -2.926 2
1 289 . 1 1 A 24 24 ILE H H 23 7.864 8.009 -0.145 2
1 290 . 1 1 A 24 24 ILE HA H 23 4.090 3.830 0.260 2
1 300 . 1 1 A 24 24 ILE C C 23 177.922 178.383 -0.461 2
1 301 . 1 1 A 24 24 ILE CA C 23 60.190 64.382 -4.192 2
1 302 . 1 1 A 24 24 ILE CB C 23 38.072 37.396 0.676 2
1 306 . 1 1 A 24 24 ILE N N 23 121.259 118.494 2.765 2
1 307 . 1 1 A 25 25 ARG H H 24 8.339 8.332 0.007 2
1 308 . 1 1 A 25 25 ARG HA H 24 3.973 4.013 -0.040 2
1 316 . 1 1 A 25 25 ARG C C 24 178.479 178.136 0.343 2
1 317 . 1 1 A 25 25 ARG CA C 24 57.337 59.303 -1.966 2
1 318 . 1 1 A 25 25 ARG CB C 24 28.663 30.078 -1.415 2
1 322 . 1 1 A 25 25 ARG N N 24 121.816 121.587 0.229 2
1 324 . 1 1 A 26 26 GLU H H 25 7.133 8.397 -1.264 2
1 325 . 1 1 A 26 26 GLU HA H 25 4.052 4.233 -0.181 2
1 330 . 1 1 A 26 26 GLU C C 25 178.158 177.194 0.964 2
1 331 . 1 1 A 26 26 GLU CA C 25 58.367 57.560 0.807 2
1 332 . 1 1 A 26 26 GLU CB C 25 29.903 29.988 -0.085 2
1 334 . 1 1 A 26 26 GLU N N 25 116.794 117.451 -0.657 2
1 335 . 1 1 A 27 27 GLN H H 26 7.283 8.104 -0.821 2
1 336 . 1 1 A 27 27 GLN HA H 26 3.888 4.346 -0.458 2
1 343 . 1 1 A 27 27 GLN C C 26 176.088 175.894 0.194 2
1 344 . 1 1 A 27 27 GLN CA C 26 57.676 57.156 0.520 2
1 345 . 1 1 A 27 27 GLN CB C 26 30.382 30.518 -0.136 2
1 348 . 1 1 A 27 27 GLN N N 26 116.373 117.834 -1.461 2
1 350 . 1 1 A 28 28 HIS H H 27 8.223 8.538 -0.315 2
1 351 . 1 1 A 28 28 HIS HA H 27 4.941 5.068 -0.127 2
1 356 . 1 1 A 28 28 HIS CA C 27 53.278 53.166 0.112 2
1 357 . 1 1 A 28 28 HIS CB C 27 30.933 29.780 1.153 2
1 360 . 1 1 A 28 28 HIS N N 27 115.408 116.312 -0.904 2
1 361 . 1 1 A 29 29 PRO HA H 28 4.562 4.344 0.218 2
1 368 . 1 1 A 29 29 PRO C C 28 178.046 177.664 0.382 2
1 369 . 1 1 A 29 29 PRO CA C 28 64.821 64.545 0.276 2
1 370 . 1 1 A 29 29 PRO CB C 28 32.447 31.994 0.453 2
1 373 . 1 1 A 30 30 THR H H 29 7.820 7.759 0.061 2
1 374 . 1 1 A 30 30 THR HA H 29 4.583 4.350 0.233 2
1 379 . 1 1 A 30 30 THR C C 29 172.723 173.376 -0.653 2
1 380 . 1 1 A 30 30 THR CA C 29 60.826 61.662 -0.836 2
1 381 . 1 1 A 30 30 THR CB C 29 68.641 69.013 -0.372 2
1 383 . 1 1 A 30 30 THR N N 29 106.682 107.805 -1.123 2
1 384 . 1 1 A 31 31 LYS H H 30 7.453 7.376 0.077 2
1 385 . 1 1 A 31 31 LYS HA H 30 4.850 4.914 -0.064 2
1 394 . 1 1 A 31 31 LYS C C 30 174.296 174.816 -0.520 2
1 395 . 1 1 A 31 31 LYS CA C 30 53.944 54.642 -0.698 2
1 396 . 1 1 A 31 31 LYS CB C 30 36.098 36.955 -0.857 2
1 400 . 1 1 A 31 31 LYS N N 30 117.809 120.397 -2.588 2
1 401 . 1 1 A 32 32 ILE H H 31 9.265 9.387 -0.122 2
1 402 . 1 1 A 32 32 ILE HA H 31 4.106 4.205 -0.099 2
1 412 . 1 1 A 32 32 ILE CA C 31 54.606 57.525 -2.919 2
1 413 . 1 1 A 32 32 ILE CB C 31 38.448 38.835 -0.387 2
1 417 . 1 1 A 32 32 ILE N N 31 122.497 122.502 -0.005 2
1 418 . 1 1 A 33 33 PRO HA H 32 5.252 4.888 0.363 2
1 425 . 1 1 A 33 33 PRO C C 32 174.652 176.711 -2.059 2
1 426 . 1 1 A 33 33 PRO CA C 32 61.704 62.507 -0.803 2
1 427 . 1 1 A 33 33 PRO CB C 32 31.873 31.837 0.036 2
1 430 . 1 1 A 34 34 VAL H H 33 9.359 8.342 1.017 2
1 431 . 1 1 A 34 34 VAL HA H 33 5.298 5.123 0.175 2
1 439 . 1 1 A 34 34 VAL C C 33 173.633 174.773 -1.140 2
1 440 . 1 1 A 34 34 VAL CA C 33 59.830 59.487 0.343 2
1 441 . 1 1 A 34 34 VAL CB C 33 36.154 36.223 -0.069 2
1 444 . 1 1 A 34 34 VAL N N 33 124.496 116.621 7.875 2
1 445 . 1 1 A 35 35 ILE H H 34 8.667 9.114 -0.447 2
1 446 . 1 1 A 35 35 ILE HA H 34 4.867 4.843 0.024 2
1 456 . 1 1 A 35 35 ILE C C 34 175.770 174.815 0.955 2
1 457 . 1 1 A 35 35 ILE CA C 34 56.320 60.314 -3.994 2
1 458 . 1 1 A 35 35 ILE CB C 34 36.909 39.506 -2.597 2
1 462 . 1 1 A 35 35 ILE N N 34 127.447 122.138 5.309 2
1 463 . 1 1 A 36 36 ILE H H 35 8.422 8.975 -0.553 2
1 464 . 1 1 A 36 36 ILE HA H 35 4.890 5.041 -0.151 2
1 474 . 1 1 A 36 36 ILE C C 35 175.098 175.673 -0.575 2
1 475 . 1 1 A 36 36 ILE CA C 35 60.806 60.494 0.312 2
1 476 . 1 1 A 36 36 ILE CB C 35 39.357 38.485 0.872 2
1 480 . 1 1 A 36 36 ILE N N 35 124.267 128.857 -4.590 2
1 481 . 1 1 A 37 37 GLU H H 36 8.335 8.793 -0.458 2
1 482 . 1 1 A 37 37 GLU HA H 36 4.820 4.929 -0.109 2
1 487 . 1 1 A 37 37 GLU C C 36 173.502 175.611 -2.109 2
1 488 . 1 1 A 37 37 GLU CA C 36 54.214 54.200 0.014 2
1 489 . 1 1 A 37 37 GLU CB C 36 35.547 33.414 2.133 2
1 491 . 1 1 A 37 37 GLU N N 36 123.296 125.902 -2.606 2
1 492 . 1 1 A 38 38 ARG H H 37 8.891 8.204 0.687 2
1 493 . 1 1 A 38 38 ARG HA H 37 2.755 3.493 -0.738 2
1 501 . 1 1 A 38 38 ARG C C 37 176.165 175.344 0.821 2
1 502 . 1 1 A 38 38 ARG CA C 37 56.235 55.902 0.333 2
1 503 . 1 1 A 38 38 ARG CB C 37 31.328 30.373 0.955 2
1 507 . 1 1 A 38 38 ARG N N 37 123.143 121.559 1.584 2
1 509 . 1 1 A 39 39 TYR H H 38 8.681 7.978 0.703 2
1 510 . 1 1 A 39 39 TYR HA H 38 4.331 4.430 -0.099 2
1 517 . 1 1 A 39 39 TYR C C 38 177.064 175.466 1.598 2
1 518 . 1 1 A 39 39 TYR CA C 38 57.769 59.020 -1.251 2
1 519 . 1 1 A 39 39 TYR CB C 38 39.552 38.984 0.568 2
1 522 . 1 1 A 39 39 TYR N N 38 128.699 122.921 5.778 2
1 523 . 1 1 A 40 40 LYS H H 39 8.454 7.994 0.460 2
1 524 . 1 1 A 40 40 LYS HA H 39 3.841 3.852 -0.011 2
1 533 . 1 1 A 40 40 LYS C C 39 176.290 176.876 -0.586 2
1 534 . 1 1 A 40 40 LYS CA C 39 58.772 57.160 1.612 2
1 535 . 1 1 A 40 40 LYS CB C 39 31.738 31.469 0.269 2
1 539 . 1 1 A 40 40 LYS N N 39 130.022 124.397 5.625 2
1 540 . 1 1 A 41 41 GLY H H 40 5.457 8.747 -3.290 2
1 541 . 1 1 A 41 41 GLY HA2 H 40 3.306 4.000 -0.694 2
1 542 . 1 1 A 41 41 GLY HA3 H 40 3.999 4.073 -0.074 2
1 543 . 1 1 A 41 41 GLY C C 40 173.426 174.175 -0.749 2
1 544 . 1 1 A 41 41 GLY CA C 40 44.673 45.307 -0.634 2
1 545 . 1 1 A 41 41 GLY N N 40 104.628 113.086 -8.458 2
1 546 . 1 1 A 42 42 GLU H H 41 7.440 8.242 -0.802 2
1 547 . 1 1 A 42 42 GLU HA H 41 4.278 4.583 -0.305 2
1 552 . 1 1 A 42 42 GLU C C 41 176.306 176.524 -0.218 2
1 553 . 1 1 A 42 42 GLU CA C 41 56.358 55.499 0.859 2
1 554 . 1 1 A 42 42 GLU CB C 41 31.014 30.402 0.612 2
1 556 . 1 1 A 42 42 GLU N N 41 122.648 120.783 1.865 2
1 557 . 1 1 A 43 43 LYS H H 42 8.912 8.453 0.459 2
1 558 . 1 1 A 43 43 LYS HA H 42 4.680 4.617 0.063 2
1 567 . 1 1 A 43 43 LYS C C 42 177.063 178.377 -1.314 2
1 568 . 1 1 A 43 43 LYS CA C 42 55.652 56.809 -1.157 2
1 569 . 1 1 A 43 43 LYS CB C 42 34.871 34.037 0.834 2
1 573 . 1 1 A 43 43 LYS N N 42 123.569 123.130 0.439 2
1 574 . 1 1 A 44 44 GLN H H 43 8.446 8.089 0.357 2
1 575 . 1 1 A 44 44 GLN HA H 43 4.545 4.058 0.487 2
1 582 . 1 1 A 44 44 GLN C C 43 177.152 177.052 0.100 2
1 583 . 1 1 A 44 44 GLN CA C 43 57.561 58.790 -1.229 2
1 584 . 1 1 A 44 44 GLN CB C 43 30.671 28.674 1.997 2
1 587 . 1 1 A 44 44 GLN N N 43 118.990 118.486 0.504 2
1 589 . 1 1 A 45 45 LEU H H 44 9.043 8.128 0.915 2
1 590 . 1 1 A 45 45 LEU HA H 44 4.716 4.490 0.226 2
1 600 . 1 1 A 45 45 LEU CA C 44 53.078 53.908 -0.830 2
1 601 . 1 1 A 45 45 LEU CB C 44 43.614 41.345 2.269 2
1 605 . 1 1 A 45 45 LEU N N 44 120.375 120.307 0.068 2
1 606 . 1 1 A 46 46 PRO HA H 45 4.723 4.650 0.073 2
1 613 . 1 1 A 46 46 PRO C C 45 175.883 176.160 -0.277 2
1 614 . 1 1 A 46 46 PRO CA C 45 62.005 62.260 -0.255 2
1 615 . 1 1 A 46 46 PRO CB C 45 32.609 32.476 0.133 2
1 618 . 1 1 A 47 47 VAL H H 46 8.437 8.518 -0.081 2
1 619 . 1 1 A 47 47 VAL HA H 46 3.914 4.471 -0.557 2
1 627 . 1 1 A 47 47 VAL C C 46 175.367 176.033 -0.666 2
1 628 . 1 1 A 47 47 VAL CA C 46 62.700 61.996 0.704 2
1 629 . 1 1 A 47 47 VAL CB C 46 32.927 31.847 1.080 2
1 632 . 1 1 A 47 47 VAL N N 46 118.440 121.312 -2.872 2
1 633 . 1 1 A 48 48 LEU H H 47 7.863 8.547 -0.684 2
1 634 . 1 1 A 48 48 LEU HA H 47 4.384 4.141 0.243 2
1 644 . 1 1 A 48 48 LEU C C 47 176.088 177.903 -1.815 2
1 645 . 1 1 A 48 48 LEU CA C 47 54.851 55.924 -1.073 2
1 646 . 1 1 A 48 48 LEU CB C 47 43.841 43.826 0.015 2
1 650 . 1 1 A 48 48 LEU N N 47 129.127 128.883 0.244 2
1 651 . 1 1 A 49 49 ASP H H 48 8.699 8.773 -0.074 2
1 652 . 1 1 A 49 49 ASP HA H 48 4.293 4.371 -0.078 2
1 655 . 1 1 A 49 49 ASP C C 48 175.121 176.003 -0.882 2
1 656 . 1 1 A 49 49 ASP CA C 48 55.717 57.271 -1.554 2
1 657 . 1 1 A 49 49 ASP CB C 48 40.260 41.047 -0.787 2
1 658 . 1 1 A 49 49 ASP N N 48 121.389 124.889 -3.500 2
1 659 . 1 1 A 50 50 LYS H H 49 7.251 7.543 -0.292 2
1 660 . 1 1 A 50 50 LYS HA H 49 4.540 4.593 -0.053 2
1 669 . 1 1 A 50 50 LYS C C 49 174.664 175.540 -0.876 2
1 670 . 1 1 A 50 50 LYS CA C 49 53.211 54.844 -1.633 2
1 671 . 1 1 A 50 50 LYS CB C 49 35.514 34.297 1.217 2
1 675 . 1 1 A 50 50 LYS N N 49 118.260 114.536 3.724 2
1 676 . 1 1 A 51 51 THR H H 50 8.162 8.148 0.014 2
1 677 . 1 1 A 51 51 THR HA H 50 4.685 4.740 -0.055 2
1 682 . 1 1 A 51 51 THR C C 50 171.631 174.437 -2.806 2
1 683 . 1 1 A 51 51 THR CA C 50 63.581 62.881 0.700 2
1 684 . 1 1 A 51 51 THR CB C 50 71.587 70.253 1.334 2
1 686 . 1 1 A 51 51 THR N N 50 112.535 113.166 -0.631 2
1 687 . 1 1 A 52 52 LYS H H 51 6.971 7.503 -0.532 2
1 688 . 1 1 A 52 52 LYS HA H 51 4.443 4.826 -0.383 2
1 697 . 1 1 A 52 52 LYS C C 51 175.417 175.772 -0.355 2
1 698 . 1 1 A 52 52 LYS CA C 51 55.209 55.357 -0.148 2
1 699 . 1 1 A 52 52 LYS CB C 51 33.309 34.119 -0.810 2
1 703 . 1 1 A 52 52 LYS N N 51 120.227 119.312 0.915 2
1 704 . 1 1 A 53 53 PHE H H 52 9.688 8.951 0.737 2
1 705 . 1 1 A 53 53 PHE HA H 52 5.675 4.986 0.689 2
1 712 . 1 1 A 53 53 PHE C C 52 174.348 174.662 -0.314 2
1 713 . 1 1 A 53 53 PHE CA C 52 56.625 56.681 -0.056 2
1 714 . 1 1 A 53 53 PHE CB C 52 43.109 43.184 -0.075 2
1 716 . 1 1 A 53 53 PHE N N 52 124.646 121.329 3.317 2
1 717 . 1 1 A 54 54 LEU H H 53 8.470 9.062 -0.592 2
1 718 . 1 1 A 54 54 LEU HA H 53 5.044 4.876 0.168 2
1 728 . 1 1 A 54 54 LEU C C 53 176.144 175.663 0.481 2
1 729 . 1 1 A 54 54 LEU CA C 53 52.954 53.408 -0.454 2
1 730 . 1 1 A 54 54 LEU CB C 53 45.081 42.315 2.766 2
1 734 . 1 1 A 54 54 LEU N N 53 119.430 123.866 -4.436 2
1 735 . 1 1 A 55 55 VAL H H 54 8.802 8.635 0.167 2
1 736 . 1 1 A 55 55 VAL HA H 54 4.640 4.575 0.065 2
1 744 . 1 1 A 55 55 VAL CA C 54 58.549 59.529 -0.980 2
1 745 . 1 1 A 55 55 VAL CB C 54 35.342 32.429 2.913 2
1 748 . 1 1 A 55 55 VAL N N 54 123.841 125.730 -1.889 2
1 749 . 1 1 A 56 56 PRO HA H 55 4.439 4.725 -0.286 2
1 756 . 1 1 A 56 56 PRO C C 55 176.666 176.563 0.103 2
1 757 . 1 1 A 56 56 PRO CA C 55 64.256 62.460 1.796 2
1 758 . 1 1 A 56 56 PRO CB C 55 32.783 31.973 0.810 2
1 761 . 1 1 A 57 57 ASP H H 56 8.412 8.096 0.316 2
1 762 . 1 1 A 57 57 ASP HA H 56 3.848 4.555 -0.707 2
1 765 . 1 1 A 57 57 ASP C C 56 175.417 176.652 -1.235 2
1 766 . 1 1 A 57 57 ASP CA C 56 56.616 53.943 2.673 2
1 767 . 1 1 A 57 57 ASP CB C 56 40.410 40.087 0.323 2
1 768 . 1 1 A 57 57 ASP N N 56 120.415 122.642 -2.227 2
1 769 . 1 1 A 58 58 HIS H H 57 7.373 7.954 -0.581 2
1 770 . 1 1 A 58 58 HIS HA H 57 4.770 4.836 -0.066 2
1 775 . 1 1 A 58 58 HIS C C 57 176.594 174.148 2.446 2
1 776 . 1 1 A 58 58 HIS CA C 57 55.584 55.194 0.390 2
1 777 . 1 1 A 58 58 HIS CB C 57 30.628 31.190 -0.562 2
1 780 . 1 1 A 58 58 HIS N N 57 113.439 114.344 -0.905 2
1 781 . 1 1 A 59 59 VAL H H 58 7.249 7.521 -0.272 2
1 782 . 1 1 A 59 59 VAL HA H 58 3.903 4.760 -0.857 2
1 790 . 1 1 A 59 59 VAL C C 58 175.014 174.072 0.942 2
1 791 . 1 1 A 59 59 VAL CA C 58 62.726 59.063 3.663 2
1 792 . 1 1 A 59 59 VAL CB C 58 32.190 36.066 -3.876 2
1 795 . 1 1 A 59 59 VAL N N 58 122.597 115.644 6.953 2
1 796 . 1 1 A 60 60 ASN H H 59 8.677 8.453 0.224 2
1 797 . 1 1 A 60 60 ASN HA H 59 5.187 5.142 0.045 2
1 802 . 1 1 A 60 60 ASN C C 59 176.477 176.837 -0.360 2
1 803 . 1 1 A 60 60 ASN CA C 59 51.181 51.386 -0.205 2
1 804 . 1 1 A 60 60 ASN CB C 59 39.947 41.108 -1.161 2
1 806 . 1 1 A 60 60 ASN N N 59 122.962 118.736 4.226 2
1 808 . 1 1 A 61 61 MET H H 60 8.038 8.601 -0.563 2
1 809 . 1 1 A 61 61 MET HA H 60 4.426 4.217 0.209 2
1 817 . 1 1 A 61 61 MET C C 60 177.996 178.465 -0.469 2
1 818 . 1 1 A 61 61 MET CA C 60 57.118 58.178 -1.060 2
1 819 . 1 1 A 61 61 MET CB C 60 29.998 32.109 -2.111 2
1 822 . 1 1 A 61 61 MET N N 60 116.814 120.438 -3.624 2
1 823 . 1 1 A 62 62 SER H H 61 8.401 8.200 0.201 2
1 824 . 1 1 A 62 62 SER HA H 61 4.132 4.130 0.002 2
1 827 . 1 1 A 62 62 SER C C 61 177.255 177.223 0.032 2
1 828 . 1 1 A 62 62 SER CA C 61 61.559 61.465 0.094 2
1 829 . 1 1 A 62 62 SER CB C 61 62.430 63.023 -0.593 2
1 830 . 1 1 A 62 62 SER N N 61 114.109 115.845 -1.736 2
1 831 . 1 1 A 63 63 GLU H H 62 8.014 8.092 -0.078 2
1 832 . 1 1 A 63 63 GLU HA H 62 4.016 3.996 0.020 2
1 837 . 1 1 A 63 63 GLU C C 62 178.327 178.927 -0.600 2
1 838 . 1 1 A 63 63 GLU CA C 62 58.787 59.379 -0.592 2
1 839 . 1 1 A 63 63 GLU CB C 62 29.814 29.294 0.520 2
1 841 . 1 1 A 63 63 GLU N N 62 122.806 121.538 1.268 2
1 842 . 1 1 A 64 64 LEU H H 63 8.254 8.068 0.186 2
1 843 . 1 1 A 64 64 LEU HA H 63 3.932 3.992 -0.060 2
1 853 . 1 1 A 64 64 LEU C C 63 178.029 178.547 -0.518 2
1 854 . 1 1 A 64 64 LEU CA C 63 57.986 58.085 -0.099 2
1 855 . 1 1 A 64 64 LEU CB C 63 41.377 41.813 -0.436 2
1 859 . 1 1 A 64 64 LEU N N 63 120.526 121.797 -1.271 2
1 860 . 1 1 A 65 65 ILE H H 64 8.415 8.316 0.099 2
1 861 . 1 1 A 65 65 ILE HA H 64 3.377 3.720 -0.343 2
1 871 . 1 1 A 65 65 ILE C C 64 177.078 178.042 -0.964 2
1 872 . 1 1 A 65 65 ILE CA C 64 66.699 65.433 1.266 2
1 873 . 1 1 A 65 65 ILE CB C 64 38.128 37.850 0.278 2
1 877 . 1 1 A 65 65 ILE N N 64 118.349 119.716 -1.367 2
1 878 . 1 1 A 66 66 LYS H H 65 7.366 8.040 -0.674 2
1 879 . 1 1 A 66 66 LYS HA H 65 3.696 4.046 -0.350 2
1 888 . 1 1 A 66 66 LYS C C 65 179.260 179.052 0.208 2
1 889 . 1 1 A 66 66 LYS CA C 65 60.593 59.113 1.480 2
1 890 . 1 1 A 66 66 LYS CB C 65 32.421 32.242 0.179 2
1 894 . 1 1 A 66 66 LYS N N 65 118.334 119.101 -0.767 2
1 895 . 1 1 A 67 67 ILE H H 66 8.179 7.930 0.249 2
1 896 . 1 1 A 67 67 ILE HA H 66 3.546 3.757 -0.211 2
1 906 . 1 1 A 67 67 ILE C C 66 178.784 178.128 0.656 2
1 907 . 1 1 A 67 67 ILE CA C 66 65.488 64.769 0.719 2
1 908 . 1 1 A 67 67 ILE CB C 66 38.593 37.583 1.010 2
1 912 . 1 1 A 67 67 ILE N N 66 119.791 119.774 0.017 2
1 913 . 1 1 A 68 68 ILE H H 67 8.279 8.291 -0.012 2
1 914 . 1 1 A 68 68 ILE HA H 67 3.391 3.395 -0.004 2
1 924 . 1 1 A 68 68 ILE C C 67 177.403 177.665 -0.262 2
1 925 . 1 1 A 68 68 ILE CA C 67 63.144 65.031 -1.887 2
1 926 . 1 1 A 68 68 ILE CB C 67 35.269 37.501 -2.232 2
1 930 . 1 1 A 68 68 ILE N N 67 120.267 121.001 -0.734 2
1 931 . 1 1 A 69 69 ARG H H 68 8.454 8.049 0.405 2
1 932 . 1 1 A 69 69 ARG HA H 68 2.966 3.386 -0.420 2
1 939 . 1 1 A 69 69 ARG C C 68 178.385 177.991 0.394 2
1 940 . 1 1 A 69 69 ARG CA C 68 60.642 58.499 2.143 2
1 941 . 1 1 A 69 69 ARG CB C 68 30.442 29.752 0.690 2
1 944 . 1 1 A 69 69 ARG N N 68 118.881 120.082 -1.201 2
1 945 . 1 1 A 70 70 ARG H H 69 7.492 7.868 -0.376 2
1 946 . 1 1 A 70 70 ARG HA H 69 4.164 4.035 0.129 2
1 954 . 1 1 A 70 70 ARG C C 69 180.253 178.808 1.445 2
1 955 . 1 1 A 70 70 ARG CA C 69 58.510 59.316 -0.806 2
1 956 . 1 1 A 70 70 ARG CB C 69 29.587 29.915 -0.327 2
1 960 . 1 1 A 70 70 ARG N N 69 116.411 119.039 -2.628 2
1 962 . 1 1 A 71 71 ARG H H 70 8.086 8.063 0.023 2
1 963 . 1 1 A 71 71 ARG HA H 70 4.025 4.045 -0.020 2
1 970 . 1 1 A 71 71 ARG C C 70 178.558 178.440 0.118 2
1 971 . 1 1 A 71 71 ARG CA C 70 59.428 58.952 0.476 2
1 972 . 1 1 A 71 71 ARG CB C 70 30.235 30.271 -0.036 2
1 975 . 1 1 A 71 71 ARG N N 70 122.779 119.284 3.495 2
1 976 . 1 1 A 72 72 LEU H H 71 7.755 7.581 0.174 2
1 977 . 1 1 A 72 72 LEU HA H 71 4.081 4.087 -0.006 2
1 987 . 1 1 A 72 72 LEU C C 71 174.852 176.534 -1.682 2
1 988 . 1 1 A 72 72 LEU CA C 71 55.060 55.592 -0.532 2
1 989 . 1 1 A 72 72 LEU CB C 71 43.109 41.721 1.388 2
1 993 . 1 1 A 72 72 LEU N N 71 116.551 118.532 -1.981 2
1 994 . 1 1 A 73 73 GLN H H 72 7.740 7.803 -0.063 2
1 995 . 1 1 A 73 73 GLN HA H 72 3.853 3.945 -0.092 2
1 1002 . 1 1 A 73 73 GLN C C 72 175.619 174.904 0.715 2
1 1003 . 1 1 A 73 73 GLN CA C 72 56.273 56.559 -0.286 2
1 1004 . 1 1 A 73 73 GLN CB C 72 25.939 26.391 -0.452 2
1 1007 . 1 1 A 73 73 GLN N N 72 114.737 117.791 -3.054 2
1 1009 . 1 1 A 74 74 LEU H H 73 7.525 7.688 -0.163 2
1 1010 . 1 1 A 74 74 LEU HA H 73 4.242 4.407 -0.165 2
1 1020 . 1 1 A 74 74 LEU C C 73 178.611 176.098 2.513 2
1 1021 . 1 1 A 74 74 LEU CA C 73 54.382 54.471 -0.089 2
1 1022 . 1 1 A 74 74 LEU CB C 73 41.995 42.290 -0.295 2
1 1026 . 1 1 A 74 74 LEU N N 73 114.861 120.556 -5.695 2
1 1027 . 1 1 A 75 75 ASN H H 74 8.970 8.606 0.364 2
1 1028 . 1 1 A 75 75 ASN HA H 74 4.694 5.028 -0.334 2
1 1033 . 1 1 A 75 75 ASN C C 74 176.527 176.118 0.409 2
1 1034 . 1 1 A 75 75 ASN CA C 74 52.686 51.523 1.163 2
1 1035 . 1 1 A 75 75 ASN CB C 74 39.583 41.146 -1.563 2
1 1037 . 1 1 A 75 75 ASN N N 74 121.274 118.176 3.098 2
1 1039 . 1 1 A 76 76 ALA H H 75 8.697 8.701 -0.005 2
1 1040 . 1 1 A 76 76 ALA HA H 75 3.966 4.075 -0.109 2
1 1044 . 1 1 A 76 76 ALA C C 75 178.002 179.083 -1.081 2
1 1045 . 1 1 A 76 76 ALA CA C 75 54.797 54.644 0.153 2
1 1046 . 1 1 A 76 76 ALA CB C 75 18.669 18.364 0.305 2
1 1047 . 1 1 A 76 76 ALA N N 75 123.590 123.066 0.524 2
1 1048 . 1 1 A 77 77 ASN H H 76 8.344 8.086 0.258 2
1 1049 . 1 1 A 77 77 ASN HA H 76 4.585 4.595 -0.010 2
1 1054 . 1 1 A 77 77 ASN C C 76 175.371 175.676 -0.305 2
1 1055 . 1 1 A 77 77 ASN CA C 76 53.183 55.303 -2.120 2
1 1056 . 1 1 A 77 77 ASN CB C 76 38.277 38.773 -0.496 2
1 1058 . 1 1 A 77 77 ASN N N 76 112.004 115.369 -3.365 2
1 1060 . 1 1 A 78 78 GLN H H 77 7.532 7.652 -0.120 2
1 1061 . 1 1 A 78 78 GLN HA H 77 4.281 4.530 -0.249 2
1 1068 . 1 1 A 78 78 GLN C C 77 175.001 174.860 0.141 2
1 1069 . 1 1 A 78 78 GLN CA C 77 55.875 55.721 0.154 2
1 1070 . 1 1 A 78 78 GLN CB C 77 30.227 29.907 0.320 2
1 1073 . 1 1 A 78 78 GLN N N 77 120.237 119.308 0.929 2
1 1075 . 1 1 A 79 79 ALA H H 78 8.732 8.686 0.046 2
1 1076 . 1 1 A 79 79 ALA HA H 78 4.183 5.237 -1.054 2
1 1080 . 1 1 A 79 79 ALA C C 78 176.367 175.909 0.458 2
1 1081 . 1 1 A 79 79 ALA CA C 78 52.798 50.547 2.251 2
1 1082 . 1 1 A 79 79 ALA CB C 78 20.051 21.579 -1.528 2
1 1083 . 1 1 A 79 79 ALA N N 78 130.399 128.103 2.296 2
1 1084 . 1 1 A 80 80 PHE H H 79 7.603 8.562 -0.958 2
1 1085 . 1 1 A 80 80 PHE HA H 79 4.449 5.220 -0.771 2
1 1093 . 1 1 A 80 80 PHE C C 79 171.709 173.059 -1.350 2
1 1094 . 1 1 A 80 80 PHE CA C 79 59.101 56.844 2.257 2
1 1095 . 1 1 A 80 80 PHE CB C 79 42.282 42.605 -0.323 2
1 1099 . 1 1 A 80 80 PHE N N 79 118.988 123.137 -4.149 2
1 1100 . 1 1 A 81 81 PHE H H 80 8.507 9.122 -0.615 2
1 1101 . 1 1 A 81 81 PHE HA H 80 4.421 4.532 -0.111 2
1 1109 . 1 1 A 81 81 PHE C C 80 172.644 173.854 -1.210 2
1 1110 . 1 1 A 81 81 PHE CA C 80 56.711 55.909 0.802 2
1 1111 . 1 1 A 81 81 PHE CB C 80 41.880 42.249 -0.369 2
1 1115 . 1 1 A 81 81 PHE N N 80 126.042 124.995 1.047 2
1 1116 . 1 1 A 82 82 LEU H H 81 8.199 8.629 -0.430 2
1 1117 . 1 1 A 82 82 LEU HA H 81 4.883 4.881 0.002 2
1 1127 . 1 1 A 82 82 LEU C C 81 174.440 174.762 -0.322 2
1 1128 . 1 1 A 82 82 LEU CA C 81 53.153 54.144 -0.991 2
1 1129 . 1 1 A 82 82 LEU CB C 81 45.520 43.406 2.114 2
1 1133 . 1 1 A 82 82 LEU N N 81 121.512 125.904 -4.392 2
1 1134 . 1 1 A 83 83 LEU H H 82 9.349 9.749 -0.400 2
1 1135 . 1 1 A 83 83 LEU HA H 82 4.810 4.872 -0.062 2
1 1145 . 1 1 A 83 83 LEU C C 82 177.075 175.822 1.253 2
1 1146 . 1 1 A 83 83 LEU CA C 82 54.122 53.749 0.373 2
1 1147 . 1 1 A 83 83 LEU CB C 82 43.394 42.066 1.328 2
1 1151 . 1 1 A 83 83 LEU N N 82 125.253 128.888 -3.635 2
1 1152 . 1 1 A 84 84 VAL H H 83 8.681 9.019 -0.338 2
1 1153 . 1 1 A 84 84 VAL HA H 83 4.411 4.015 0.396 2
1 1161 . 1 1 A 84 84 VAL C C 83 175.797 176.160 -0.363 2
1 1162 . 1 1 A 84 84 VAL CA C 83 61.630 62.171 -0.541 2
1 1163 . 1 1 A 84 84 VAL CB C 83 33.647 31.156 2.491 2
1 1166 . 1 1 A 84 84 VAL N N 83 123.543 125.546 -2.003 2
1 1167 . 1 1 A 85 85 ASN H H 84 9.622 9.248 0.374 2
1 1168 . 1 1 A 85 85 ASN HA H 84 4.399 4.628 -0.229 2
1 1173 . 1 1 A 85 85 ASN C C 84 175.042 175.009 0.033 2
1 1174 . 1 1 A 85 85 ASN CA C 84 54.610 54.228 0.382 2
1 1175 . 1 1 A 85 85 ASN CB C 84 37.927 36.908 1.019 2
1 1177 . 1 1 A 85 85 ASN N N 84 125.848 127.207 -1.359 2
1 1179 . 1 1 A 86 86 GLY H H 85 8.551 8.312 0.239 2
1 1180 . 1 1 A 86 86 GLY HA2 H 85 3.368 3.906 -0.538 2
1 1181 . 1 1 A 86 86 GLY HA3 H 85 4.064 3.926 0.138 2
1 1182 . 1 1 A 86 86 GLY C C 85 173.524 173.688 -0.164 2
1 1183 . 1 1 A 86 86 GLY CA C 85 45.588 45.324 0.264 2
1 1184 . 1 1 A 86 86 GLY N N 85 101.093 104.595 -3.502 2
1 1185 . 1 1 A 87 87 HIS H H 86 7.906 7.402 0.504 2
1 1186 . 1 1 A 87 87 HIS HA H 86 5.003 5.238 -0.235 2
1 1191 . 1 1 A 87 87 HIS C C 86 173.910 174.323 -0.413 2
1 1192 . 1 1 A 87 87 HIS CA C 86 54.213 53.717 0.496 2
1 1193 . 1 1 A 87 87 HIS CB C 86 31.482 32.878 -1.396 2
1 1196 . 1 1 A 87 87 HIS N N 86 117.253 115.600 1.653 2
1 1197 . 1 1 A 88 88 SER H H 87 8.846 8.984 -0.138 2
1 1198 . 1 1 A 88 88 SER HA H 87 4.702 4.495 0.207 2
1 1201 . 1 1 A 88 88 SER C C 87 175.739 175.327 0.412 2
1 1202 . 1 1 A 88 88 SER CA C 87 58.245 58.146 0.099 2
1 1203 . 1 1 A 88 88 SER CB C 87 63.764 64.892 -1.128 2
1 1204 . 1 1 A 88 88 SER N N 87 117.469 115.662 1.807 2
1 1205 . 1 1 A 89 89 MET H H 88 9.174 8.481 0.693 2
1 1206 . 1 1 A 89 89 MET HA H 88 4.820 4.905 -0.085 2
1 1214 . 1 1 A 89 89 MET C C 88 176.294 176.892 -0.598 2
1 1215 . 1 1 A 89 89 MET CA C 88 54.853 54.222 0.631 2
1 1216 . 1 1 A 89 89 MET CB C 88 33.183 32.423 0.760 2
1 1219 . 1 1 A 89 89 MET N N 88 125.111 118.442 6.669 2
1 1220 . 1 1 A 90 90 VAL H H 89 8.217 7.695 0.522 2
1 1221 . 1 1 A 90 90 VAL HA H 89 4.063 3.825 0.238 2
1 1229 . 1 1 A 90 90 VAL C C 89 176.249 176.328 -0.079 2
1 1230 . 1 1 A 90 90 VAL CA C 89 63.377 64.537 -1.160 2
1 1231 . 1 1 A 90 90 VAL CB C 89 32.473 31.581 0.892 2
1 1234 . 1 1 A 90 90 VAL N N 89 120.477 120.988 -0.511 2
1 1235 . 1 1 A 91 91 SER H H 90 8.356 8.258 0.098 2
1 1236 . 1 1 A 91 91 SER HA H 90 4.614 4.625 -0.011 2
1 1239 . 1 1 A 91 91 SER C C 90 175.841 173.456 2.385 2
1 1240 . 1 1 A 91 91 SER CA C 90 57.860 58.018 -0.158 2
1 1241 . 1 1 A 91 91 SER CB C 90 63.398 63.149 0.249 2
1 1242 . 1 1 A 91 91 SER N N 90 116.676 117.608 -0.932 2
1 1243 . 1 1 A 92 92 VAL H H 91 8.158 8.297 -0.139 2
1 1244 . 1 1 A 92 92 VAL HA H 91 4.245 4.282 -0.037 2
1 1252 . 1 1 A 92 92 VAL C C 91 175.856 175.746 0.110 2
1 1253 . 1 1 A 92 92 VAL CA C 91 63.121 62.746 0.375 2
1 1254 . 1 1 A 92 92 VAL CB C 91 31.872 32.424 -0.552 2
1 1257 . 1 1 A 92 92 VAL N N 91 119.994 124.982 -4.988 2
1 1258 . 1 1 A 93 93 SER H H 92 8.368 8.746 -0.378 2
1 1259 . 1 1 A 93 93 SER HA H 92 4.581 4.720 -0.139 2
1 1262 . 1 1 A 93 93 SER C C 92 174.154 173.197 0.957 2
1 1263 . 1 1 A 93 93 SER CA C 92 57.706 57.691 0.015 2
1 1264 . 1 1 A 93 93 SER CB C 92 63.126 64.076 -0.950 2
1 1265 . 1 1 A 93 93 SER N N 92 116.504 124.296 -7.792 2
1 1266 . 1 1 A 94 94 THR H H 93 7.427 7.593 -0.166 2
1 1267 . 1 1 A 94 94 THR HA H 93 4.464 4.686 -0.222 2
1 1272 . 1 1 A 94 94 THR CA C 93 61.032 59.161 1.870 2
1 1273 . 1 1 A 94 94 THR CB C 93 70.505 71.699 -1.194 2
1 1275 . 1 1 A 94 94 THR N N 93 119.172 116.161 3.011 2
1 1276 . 1 1 A 95 95 PRO HA H 94 4.426 4.708 -0.282 2
1 1283 . 1 1 A 95 95 PRO C C 94 178.692 178.017 0.675 2
1 1284 . 1 1 A 95 95 PRO CA C 94 62.921 62.697 0.224 2
1 1285 . 1 1 A 95 95 PRO CB C 94 32.774 32.467 0.307 2
1 1288 . 1 1 A 96 96 ILE H H 95 9.324 9.005 0.318 2
1 1289 . 1 1 A 96 96 ILE HA H 95 3.956 3.994 -0.038 2
1 1299 . 1 1 A 96 96 ILE C C 95 176.415 177.066 -0.651 2
1 1300 . 1 1 A 96 96 ILE CA C 95 63.880 63.600 0.280 2
1 1301 . 1 1 A 96 96 ILE CB C 95 38.055 37.970 0.085 2
1 1305 . 1 1 A 96 96 ILE N N 95 123.862 125.587 -1.725 2
1 1306 . 1 1 A 97 97 SER H H 96 8.211 8.302 -0.091 2
1 1307 . 1 1 A 97 97 SER HA H 96 3.978 4.123 -0.145 2
1 1310 . 1 1 A 97 97 SER C C 96 176.494 177.178 -0.684 2
1 1311 . 1 1 A 97 97 SER CA C 96 61.576 61.401 0.175 2
1 1312 . 1 1 A 97 97 SER CB C 96 61.262 62.459 -1.197 2
1 1313 . 1 1 A 97 97 SER N N 96 116.529 117.363 -0.834 2
1 1314 . 1 1 A 98 98 GLU H H 97 7.329 8.029 -0.700 2
1 1315 . 1 1 A 98 98 GLU HA H 97 4.290 4.269 0.021 2
1 1320 . 1 1 A 98 98 GLU C C 97 179.288 178.929 0.359 2
1 1321 . 1 1 A 98 98 GLU CA C 97 58.705 59.218 -0.513 2
1 1322 . 1 1 A 98 98 GLU CB C 97 29.791 30.261 -0.470 2
1 1324 . 1 1 A 98 98 GLU N N 97 122.955 122.415 0.540 2
1 1325 . 1 1 A 99 99 VAL H H 98 7.386 8.419 -1.033 2
1 1326 . 1 1 A 99 99 VAL HA H 98 3.815 3.798 0.017 2
1 1334 . 1 1 A 99 99 VAL C C 98 177.662 178.186 -0.524 2
1 1335 . 1 1 A 99 99 VAL CA C 98 65.774 65.990 -0.216 2
1 1336 . 1 1 A 99 99 VAL CB C 98 32.047 31.743 0.304 2
1 1339 . 1 1 A 99 99 VAL N N 98 120.888 120.684 0.204 2
1 1340 . 1 1 A 100 100 TYR H H 99 8.984 7.903 1.081 2
1 1341 . 1 1 A 100 100 TYR HA H 99 4.013 4.237 -0.224 2
1 1348 . 1 1 A 100 100 TYR C C 99 176.355 178.147 -1.792 2
1 1349 . 1 1 A 100 100 TYR CA C 99 62.118 61.254 0.864 2
1 1350 . 1 1 A 100 100 TYR CB C 99 38.921 38.722 0.199 2
1 1353 . 1 1 A 100 100 TYR N N 99 118.874 120.981 -2.107 2
1 1354 . 1 1 A 101 101 GLU H H 100 7.433 8.608 -1.175 2
1 1355 . 1 1 A 101 101 GLU HA H 100 3.833 4.105 -0.272 2
1 1360 . 1 1 A 101 101 GLU C C 100 177.674 176.852 0.822 2
1 1361 . 1 1 A 101 101 GLU CA C 100 58.895 57.981 0.914 2
1 1362 . 1 1 A 101 101 GLU CB C 100 29.577 28.698 0.879 2
1 1364 . 1 1 A 101 101 GLU N N 100 114.383 117.849 -3.466 2
1 1365 . 1 1 A 102 102 SER H H 101 7.423 8.131 -0.708 2
1 1366 . 1 1 A 102 102 SER HA H 101 4.552 4.655 -0.103 2
1 1369 . 1 1 A 102 102 SER C C 101 176.554 174.753 1.801 2
1 1370 . 1 1 A 102 102 SER CA C 101 60.200 58.583 1.617 2
1 1371 . 1 1 A 102 102 SER CB C 101 64.828 64.180 0.648 2
1 1372 . 1 1 A 102 102 SER N N 101 108.722 115.161 -6.439 2
1 1373 . 1 1 A 103 103 GLU H H 102 8.488 7.894 0.594 2
1 1374 . 1 1 A 103 103 GLU HA H 102 4.752 4.494 0.258 2
1 1379 . 1 1 A 103 103 GLU C C 102 176.653 176.365 0.288 2
1 1380 . 1 1 A 103 103 GLU CA C 102 55.464 57.380 -1.916 2
1 1381 . 1 1 A 103 103 GLU CB C 102 30.611 32.041 -1.430 2
1 1383 . 1 1 A 103 103 GLU N N 102 116.116 118.673 -2.557 2
1 1384 . 1 1 A 104 104 ARG H H 103 7.511 7.710 -0.199 2
1 1385 . 1 1 A 104 104 ARG HA H 103 4.241 4.205 0.036 2
1 1392 . 1 1 A 104 104 ARG C C 103 174.634 175.345 -0.711 2
1 1393 . 1 1 A 104 104 ARG CA C 103 56.926 56.192 0.734 2
1 1394 . 1 1 A 104 104 ARG CB C 103 29.713 29.987 -0.274 2
1 1397 . 1 1 A 104 104 ARG N N 103 117.180 118.385 -1.205 2
1 1398 . 1 1 A 105 105 ASP H H 104 9.069 8.640 0.429 2
1 1399 . 1 1 A 105 105 ASP HA H 104 4.774 5.015 -0.241 2
1 1402 . 1 1 A 105 105 ASP C C 104 177.460 176.923 0.537 2
1 1403 . 1 1 A 105 105 ASP CA C 104 53.852 52.404 1.448 2
1 1404 . 1 1 A 105 105 ASP CB C 104 43.424 43.475 -0.051 2
1 1405 . 1 1 A 105 105 ASP N N 104 123.349 122.424 0.925 2
1 1406 . 1 1 A 106 106 GLU H H 105 8.982 8.926 0.056 2
1 1407 . 1 1 A 106 106 GLU HA H 105 4.199 4.011 0.188 2
1 1412 . 1 1 A 106 106 GLU C C 105 177.398 178.092 -0.694 2
1 1413 . 1 1 A 106 106 GLU CA C 105 59.413 59.745 -0.332 2
1 1414 . 1 1 A 106 106 GLU CB C 105 29.983 29.424 0.559 2
1 1416 . 1 1 A 106 106 GLU N N 105 125.197 121.698 3.499 2
1 1417 . 1 1 A 107 107 ASP H H 106 9.873 7.997 1.876 2
1 1418 . 1 1 A 107 107 ASP HA H 106 4.211 4.157 0.055 2
1 1421 . 1 1 A 107 107 ASP C C 106 175.775 176.690 -0.915 2
1 1422 . 1 1 A 107 107 ASP CA C 106 54.698 55.114 -0.416 2
1 1423 . 1 1 A 107 107 ASP CB C 106 40.187 41.315 -1.128 2
1 1424 . 1 1 A 107 107 ASP N N 106 118.717 116.896 1.821 2
1 1425 . 1 1 A 108 108 GLY H H 107 7.971 8.222 -0.251 2
1 1426 . 1 1 A 108 108 GLY HA2 H 107 3.431 3.896 -0.465 2
1 1427 . 1 1 A 108 108 GLY HA3 H 107 4.526 3.929 0.598 2
1 1428 . 1 1 A 108 108 GLY C C 107 175.138 174.079 1.059 2
1 1429 . 1 1 A 108 108 GLY CA C 107 45.029 45.514 -0.485 2
1 1430 . 1 1 A 108 108 GLY N N 107 105.017 108.636 -3.619 2
1 1431 . 1 1 A 109 109 PHE H H 108 9.799 7.888 1.911 2
1 1432 . 1 1 A 109 109 PHE HA H 108 4.607 4.752 -0.145 2
1 1440 . 1 1 A 109 109 PHE C C 108 175.171 174.863 0.308 2
1 1441 . 1 1 A 109 109 PHE CA C 108 60.222 56.945 3.277 2
1 1442 . 1 1 A 109 109 PHE CB C 108 40.433 41.620 -1.187 2
1 1446 . 1 1 A 109 109 PHE N N 108 123.309 119.118 4.191 2
1 1447 . 1 1 A 110 110 LEU H H 109 8.061 8.721 -0.660 2
1 1448 . 1 1 A 110 110 LEU HA H 109 5.022 4.435 0.587 2
1 1458 . 1 1 A 110 110 LEU C C 109 174.033 175.761 -1.728 2
1 1459 . 1 1 A 110 110 LEU CA C 109 53.539 54.757 -1.218 2
1 1460 . 1 1 A 110 110 LEU CB C 109 45.284 42.547 2.737 2
1 1464 . 1 1 A 110 110 LEU N N 109 119.999 125.207 -5.208 2
1 1465 . 1 1 A 111 111 TYR H H 110 9.363 9.245 0.118 2
1 1466 . 1 1 A 111 111 TYR HA H 110 4.906 5.098 -0.192 2
1 1473 . 1 1 A 111 111 TYR C C 110 176.538 174.824 1.714 2
1 1474 . 1 1 A 111 111 TYR CA C 110 59.335 56.601 2.734 2
1 1475 . 1 1 A 111 111 TYR CB C 110 39.485 40.249 -0.764 2
1 1478 . 1 1 A 111 111 TYR N N 110 126.322 122.889 3.433 2
1 1479 . 1 1 A 112 112 MET H H 111 9.496 8.728 0.768 2
1 1480 . 1 1 A 112 112 MET HA H 111 5.522 5.329 0.193 2
1 1488 . 1 1 A 112 112 MET C C 111 175.676 174.387 1.289 2
1 1489 . 1 1 A 112 112 MET CA C 111 54.216 54.425 -0.209 2
1 1490 . 1 1 A 112 112 MET CB C 111 36.821 36.966 -0.145 2
1 1493 . 1 1 A 112 112 MET N N 111 119.003 123.410 -4.407 2
1 1494 . 1 1 A 113 113 VAL H H 112 8.749 8.905 -0.156 2
1 1495 . 1 1 A 113 113 VAL HA H 112 5.967 4.989 0.978 2
1 1503 . 1 1 A 113 113 VAL C C 112 174.893 175.165 -0.272 2
1 1504 . 1 1 A 113 113 VAL CA C 112 58.896 61.211 -2.315 2
1 1505 . 1 1 A 113 113 VAL CB C 112 36.149 33.837 2.313 2
1 1508 . 1 1 A 113 113 VAL N N 112 119.658 122.215 -2.557 2
1 1509 . 1 1 A 114 114 TYR H H 113 8.210 8.639 -0.429 2
1 1510 . 1 1 A 114 114 TYR HA H 113 6.141 6.032 0.109 2
1 1517 . 1 1 A 114 114 TYR C C 113 173.353 173.913 -0.560 2
1 1518 . 1 1 A 114 114 TYR CA C 113 54.161 55.058 -0.897 2
1 1519 . 1 1 A 114 114 TYR CB C 113 43.538 42.242 1.296 2
1 1522 . 1 1 A 114 114 TYR N N 113 118.947 123.928 -4.981 2
1 1523 . 1 1 A 115 115 ALA H H 114 8.483 8.741 -0.258 2
1 1524 . 1 1 A 115 115 ALA HA H 114 4.762 4.781 -0.019 2
1 1528 . 1 1 A 115 115 ALA C C 114 176.033 176.910 -0.877 2
1 1529 . 1 1 A 115 115 ALA CA C 114 51.223 51.282 -0.059 2
1 1530 . 1 1 A 115 115 ALA CB C 114 24.521 22.694 1.827 2
1 1531 . 1 1 A 115 115 ALA N N 114 119.557 121.705 -2.148 2
1 1532 . 1 1 A 116 116 SER H H 115 9.835 8.653 1.182 2
1 1533 . 1 1 A 116 116 SER HA H 115 4.497 4.957 -0.460 2
1 1536 . 1 1 A 116 116 SER C C 115 172.664 173.731 -1.066 2
1 1537 . 1 1 A 116 116 SER CA C 115 58.669 58.144 0.525 2
1 1538 . 1 1 A 116 116 SER CB C 115 63.570 63.453 0.117 2
1 1539 . 1 1 A 116 116 SER N N 115 114.435 114.212 0.223 2
1 1540 . 1 1 A 117 117 GLN H H 116 7.180 7.569 -0.389 2
1 1541 . 1 1 A 117 117 GLN HA H 116 4.460 4.905 -0.445 2
1 1548 . 1 1 A 117 117 GLN C C 116 172.901 175.249 -2.348 2
1 1549 . 1 1 A 117 117 GLN CA C 116 53.974 54.931 -0.957 2
1 1550 . 1 1 A 117 117 GLN CB C 116 32.192 31.996 0.196 2
1 1553 . 1 1 A 117 117 GLN N N 116 116.449 119.635 -3.186 2
1 1555 . 1 1 A 118 118 GLU H H 117 7.878 8.687 -0.809 2
1 1556 . 1 1 A 118 118 GLU HA H 117 3.259 4.505 -1.246 2
1 1561 . 1 1 A 118 118 GLU C C 117 175.233 176.793 -1.560 2
1 1562 . 1 1 A 118 118 GLU CA C 117 56.890 56.384 0.506 2
1 1563 . 1 1 A 118 118 GLU CB C 117 30.325 30.350 -0.025 2
1 1565 . 1 1 A 118 118 GLU N N 117 117.687 124.113 -6.426 2
1 1566 . 1 1 A 119 119 THR H H 118 6.968 7.553 -0.585 2
1 1567 . 1 1 A 119 119 THR HA H 118 4.082 4.464 -0.382 2
1 1572 . 1 1 A 119 119 THR C C 118 173.134 174.852 -1.718 2
1 1573 . 1 1 A 119 119 THR CA C 118 60.123 60.215 -0.092 2
1 1574 . 1 1 A 119 119 THR CB C 118 70.147 68.798 1.349 2
1 1576 . 1 1 A 119 119 THR N N 118 109.548 108.583 0.965 2
1 1577 . 1 1 A 120 120 PHE H H 119 8.138 7.898 0.240 2
1 1578 . 1 1 A 120 120 PHE HA H 119 4.436 4.468 -0.032 2
1 1586 . 1 1 A 120 120 PHE C C 119 174.902 177.010 -2.108 2
1 1587 . 1 1 A 120 120 PHE CA C 119 56.750 58.542 -1.792 2
1 1588 . 1 1 A 120 120 PHE CB C 119 39.411 39.428 -0.017 2
1 1592 . 1 1 A 120 120 PHE N N 119 121.777 121.238 0.539 2
1 1607 . 2 2 B 2 2 SER H H 332 8.471 8.222 0.249 2
1 1608 . 2 2 B 2 2 SER HA H 332 4.484 4.723 -0.239 2
1 1611 . 2 2 B 2 2 SER C C 332 174.962 174.493 0.469 2
1 1612 . 2 2 B 2 2 SER CA C 332 88.436 56.018 32.418 2
1 1613 . 2 2 B 2 2 SER CB C 332 93.927 48.809 45.118 2
1 1614 . 2 2 B 2 2 SER N N 332 147.261 118.865 28.396 2
1 1615 . 2 2 B 3 3 GLY H H 333 8.601 8.426 0.175 2
1 1616 . 2 2 B 3 3 GLY HA2 H 333 4.022 4.014 0.008 2
1 1617 . 2 2 B 3 3 GLY HA3 H 333 4.022 4.018 0.004 2
1 1618 . 2 2 B 3 3 GLY C C 333 174.774 175.306 -0.532 2
1 1619 . 2 2 B 3 3 GLY CA C 333 75.465 54.946 20.519 2
1 1620 . 2 2 B 3 3 GLY N N 333 141.077 110.619 30.458 2
1 1621 . 2 2 B 4 4 GLY H H 334 8.372 8.210 0.162 2
1 1622 . 2 2 B 4 4 GLY HA2 H 334 3.980 4.096 -0.116 2
1 1623 . 2 2 B 4 4 GLY HA3 H 334 3.980 4.101 -0.121 2
1 1624 . 2 2 B 4 4 GLY C C 334 174.758 173.496 1.262 2
1 1625 . 2 2 B 4 4 GLY CA C 334 75.674 51.711 23.963 2
1 1626 . 2 2 B 4 4 GLY N N 334 138.894 111.671 27.223 2
1 1627 . 2 2 B 5 5 ASP H H 335 8.429 8.556 -0.127 2
1 1628 . 2 2 B 5 5 ASP HA H 335 4.610 4.784 -0.174 2
1 1631 . 2 2 B 5 5 ASP CA C 335 85.066 54.579 30.487 2
1 1632 . 2 2 B 5 5 ASP CB C 335 71.191 35.924 35.267 2
1 1633 . 2 2 B 5 5 ASP N N 335 149.637 121.870 27.767 2
1 1634 . 2 2 B 6 6 ASP H H 336 8.244 8.358 -0.114 2
1 1635 . 2 2 B 6 6 ASP HA H 336 4.559 4.452 0.107 2
1 1638 . 2 2 B 6 6 ASP C C 336 175.432 175.958 -0.526 2
1 1639 . 2 2 B 6 6 ASP CA C 336 84.708 56.476 28.232 2
1 1640 . 2 2 B 6 6 ASP CB C 336 71.552 37.342 34.210 2
1 1641 . 2 2 B 6 6 ASP N N 336 148.885 122.469 26.416 2
1 1642 . 2 2 B 7 7 ASP H H 337 7.803 8.165 -0.362 2
1 1643 . 2 2 B 7 7 ASP HA H 337 4.655 4.907 -0.252 2
1 1646 . 2 2 B 7 7 ASP C C 337 175.362 175.600 -0.238 2
1 1647 . 2 2 B 7 7 ASP CA C 337 83.670 56.317 27.353 2
1 1648 . 2 2 B 7 7 ASP CB C 337 71.933 57.308 14.625 2
1 1649 . 2 2 B 7 7 ASP N N 337 149.563 114.600 34.963 2
1 1650 . 2 2 B 8 8 TRP H H 338 8.472 8.889 -0.417 2
1 1651 . 2 2 B 8 8 TRP HA H 338 4.174 4.492 -0.318 2
1 1660 . 2 2 B 8 8 TRP C C 338 175.959 176.896 -0.937 2
1 1661 . 2 2 B 8 8 TRP CA C 338 87.020 59.292 27.728 2
1 1662 . 2 2 B 8 8 TRP CB C 338 61.223 34.512 26.711 2
1 1668 . 2 2 B 8 8 TRP N N 338 150.172 124.164 26.008 2
1 1670 . 2 2 B 9 9 THR H H 339 7.994 8.347 -0.353 2
1 1671 . 2 2 B 9 9 THR HA H 339 4.533 4.292 0.241 2
1 1676 . 2 2 B 9 9 THR C C 339 174.035 176.177 -2.142 2
1 1677 . 2 2 B 9 9 THR CA C 339 92.659 60.039 32.620 2
1 1678 . 2 2 B 9 9 THR CB C 339 99.436 51.260 48.176 2
1 1680 . 2 2 B 9 9 THR N N 339 149.503 116.185 33.318 2
1 1681 . 2 2 B 10 10 HIS H H 340 9.463 8.120 1.343 2
1 1682 . 2 2 B 10 10 HIS HA H 340 4.677 4.750 -0.073 2
1 1687 . 2 2 B 10 10 HIS C C 340 175.606 176.177 -0.571 2
1 1688 . 2 2 B 10 10 HIS CA C 340 87.024 56.205 30.819 2
1 1689 . 2 2 B 10 10 HIS CB C 340 61.368 30.339 31.029 2
1 1692 . 2 2 B 10 10 HIS N N 340 159.135 120.124 39.011 2
1 1693 . 2 2 B 11 11 LEU H H 341 8.398 8.757 -0.359 2
1 1694 . 2 2 B 11 11 LEU HA H 341 4.848 4.400 0.448 2
1 1704 . 2 2 B 11 11 LEU C C 341 175.919 176.255 -0.336 2
1 1705 . 2 2 B 11 11 LEU CA C 341 83.684 56.812 26.872 2
1 1706 . 2 2 B 11 11 LEU CB C 341 73.601 36.117 37.484 2
1 1710 . 2 2 B 11 11 LEU N N 341 153.300 123.334 29.966 2
1 1711 . 2 2 B 12 12 SER H H 342 8.382 8.416 -0.034 2
1 1712 . 2 2 B 12 12 SER HA H 342 4.652 4.628 0.024 2
1 1715 . 2 2 B 12 12 SER C C 342 174.263 174.867 -0.604 2
1 1716 . 2 2 B 12 12 SER CA C 342 86.841 57.346 29.495 2
1 1717 . 2 2 B 12 12 SER CB C 342 95.113 47.565 47.548 2
1 1718 . 2 2 B 12 12 SER N N 342 144.018 121.466 22.552 2
1 1719 . 2 2 B 13 13 SER H H 343 8.937 8.928 0.008 2
1 1720 . 2 2 B 13 13 SER HA H 343 4.291 4.500 -0.209 2
1 1723 . 2 2 B 13 13 SER C C 343 174.652 175.232 -0.580 2
1 1724 . 2 2 B 13 13 SER CA C 343 89.546 59.695 29.851 2
1 1725 . 2 2 B 13 13 SER CB C 343 93.470 63.404 30.066 2
1 1726 . 2 2 B 13 13 SER N N 343 148.575 119.493 29.082 2
1 1727 . 2 2 B 14 14 LYS H H 344 8.250 8.739 -0.489 2
1 1728 . 2 2 B 14 14 LYS HA H 344 4.319 4.216 0.103 2
1 1737 . 2 2 B 14 14 LYS C C 344 176.699 177.366 -0.667 2
1 1738 . 2 2 B 14 14 LYS CA C 344 86.716 60.377 26.339 2
1 1739 . 2 2 B 14 14 LYS CB C 344 62.831 36.595 26.236 2
1 1743 . 2 2 B 14 14 LYS N N 344 151.908 123.056 28.852 2
1 1744 . 2 2 B 15 15 GLU H H 345 8.256 8.147 0.109 2
1 1745 . 2 2 B 15 15 GLU HA H 345 4.240 4.171 0.069 2
1 1750 . 2 2 B 15 15 GLU C C 345 176.152 177.604 -1.452 2
1 1751 . 2 2 B 15 15 GLU CA C 345 87.152 58.272 28.880 2
1 1752 . 2 2 B 15 15 GLU CB C 345 60.176 29.714 30.462 2
1 1754 . 2 2 B 15 15 GLU N N 345 150.679 117.870 32.809 2
1 1755 . 2 2 B 16 16 VAL H H 346 7.762 7.812 -0.050 2
1 1756 . 2 2 B 16 16 VAL HA H 346 4.161 4.155 0.006 2
1 1764 . 2 2 B 16 16 VAL C C 346 174.646 176.900 -2.254 2
1 1765 . 2 2 B 16 16 VAL CA C 346 91.707 59.785 31.922 2
1 1766 . 2 2 B 16 16 VAL CB C 346 63.107 31.127 31.980 2
1 1769 . 2 2 B 16 16 VAL N N 346 146.718 118.070 28.648 2
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